{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.822735 0.5 0.685927 ] [ 0 0 0 ] [ 0.177265 0.5 0.314073 ] [ 0.322735 0 0.685927 ] [ 0.5 0.5 0 ] [ 0.677265 0 0.314073 ] [ 0.787414 0 0.870118 ] [ 0.212586 0 0.129882 ] [ 0 0.784419 0.5 ] [ 0 0.215581 0.5 ] [ 0.287414 0.5 0.870118 ] [ 0.712586 0.5 0.129882 ] [ 0.5 0.284419 0.5 ] [ 0.5 0.715581 0.5 ] [ 0.150822 0.264327 0.803766 ] [ 0.849178 0.735673 0.196234 ] [ 0.150822 0.735673 0.803766 ] [ 0.128599 0 0.450732 ] [ 0.871401 0 0.549268 ] [ 0.984273 0.5 0.202671 ] [ 0.015727 0.5 0.797329 ] [ 0.849178 0.264327 0.196234 ] [ 0.650822 0.764327 0.803766 ] [ 0.349178 0.235673 0.196234 ] [ 0.650822 0.235673 0.803766 ] [ 0.628599 0.5 0.450732 ] [ 0.371401 0.5 0.549268 ] [ 0.484273 0 0.202671 ] [ 0.515727 0 0.797329 ] [ 0.349178 0.764327 0.196234 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.7461336053 "source-unit" "angstrom" } "b" { "source-value" 6.77872479998 "source-unit" "angstrom" } "c" { "source-value" 6.89965978146 "source-unit" "angstrom" } "beta" { "source-value" 98.7521078963 "source-unit" "degree" } }