{ "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 0.75 0.359919 ] [ 0.5 0.75 0.140081 ] [ 0.5 0.25 0.859919 ] [ 0 0.25 0.640081 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.726549 0.75 0.50216 ] [ 0 0.479586 0.22865 ] [ 0 0.020414 0.22865 ] [ 0.273451 0.75 0.50216 ] [ 0.226549 0.75 0.99784 ] [ 0.5 0.020414 0.27135 ] [ 0.5 0.479586 0.27135 ] [ 0.773451 0.75 0.99784 ] [ 0.226549 0.25 0.00216 ] [ 0.5 0.979586 0.72865 ] [ 0.5 0.520414 0.72865 ] [ 0.773451 0.25 0.00216 ] [ 0.726549 0.25 0.49784 ] [ 0 0.520414 0.77135 ] [ 0 0.979586 0.77135 ] [ 0.273451 0.25 0.49784 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Sb" "Sb" "Sb" "Sb" "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" 6.04520895 "source-unit" "angstrom" } "b" { "source-value" 6.21068994 "source-unit" "angstrom" } "c" { "source-value" 8.58149993 "source-unit" "angstrom" } }