{ "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" [ [ 0.5 0 0 ] [ 0.25 0.75 0.75 ] [ 0 0 0.5 ] [ 0.75 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0.25 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.234433 0.25 0.994573 ] [ 0 0.487583 0.760377 ] [ 0.765567 0.25 0.994573 ] [ 0 0.012417 0.760377 ] [ 0.5 0.487583 0.739623 ] [ 0.734433 0.25 0.505427 ] [ 0.5 0.012417 0.739623 ] [ 0.265567 0.25 0.505427 ] [ 0.734433 0.75 0.494573 ] [ 0.5 0.987583 0.260377 ] [ 0.265567 0.75 0.494573 ] [ 0.5 0.512417 0.260377 ] [ 0 0.987583 0.239623 ] [ 0.234433 0.75 0.005427 ] [ 0 0.512417 0.239623 ] [ 0.765567 0.75 0.005427 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cu" "Cu" "Cu" "Cu" "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" 5.88407442 "source-unit" "angstrom" } "b" { "source-value" 5.88817291 "source-unit" "angstrom" } "c" { "source-value" 8.34880765 "source-unit" "angstrom" } }