{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.875693 ] [ 0.75 0 0.124307 ] [ 0.75 0.5 0.375693 ] [ 0.25 0.5 0.624307 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.514376 0 0.744219 ] [ 0.25 0.291394 0.009671 ] [ 0.25 0.708606 0.009671 ] [ 0.985624 0 0.744219 ] [ 0.014376 0 0.255781 ] [ 0.75 0.708606 0.990329 ] [ 0.75 0.291394 0.990329 ] [ 0.485624 0 0.255781 ] [ 0.014376 0.5 0.244219 ] [ 0.75 0.791394 0.509671 ] [ 0.75 0.208606 0.509671 ] [ 0.485624 0.5 0.244219 ] [ 0.514376 0.5 0.755781 ] [ 0.25 0.208606 0.490329 ] [ 0.25 0.791394 0.490329 ] [ 0.985624 0.5 0.755781 ] ] } "species" { "source-value" [ "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" 5.82318371 "source-unit" "angstrom" } "b" { "source-value" 6.20868188 "source-unit" "angstrom" } "c" { "source-value" 8.81601994 "source-unit" "angstrom" } }