{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.599894 0.039224 ] [ 0.75 0.400106 0.960776 ] [ 0.25 0.099894 0.460776 ] [ 0.75 0.900106 0.539224 ] [ 0.25 0.708648 0.634429 ] [ 0.25 0.208648 0.865571 ] [ 0.75 0.791352 0.134429 ] [ 0.75 0.291352 0.365571 ] [ 0.25 0.935472 0.184443 ] [ 0.75 0.564528 0.684443 ] [ 0.75 0.064528 0.815557 ] [ 0.25 0.435472 0.315557 ] [ 0.929504 0.138694 0.432259 ] [ 0.429504 0.861306 0.567741 ] [ 0.570496 0.638694 0.067741 ] [ 0.070496 0.361306 0.932259 ] [ 0.070496 0.861306 0.567741 ] [ 0.570496 0.138694 0.432259 ] [ 0.429504 0.361306 0.932259 ] [ 0.75 0.7492 0.326258 ] [ 0.25 0.7508 0.826258 ] [ 0.75 0.2492 0.173742 ] [ 0.25 0.2508 0.673742 ] [ 0.929504 0.638694 0.067741 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "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" 6.86236948 "source-unit" "angstrom" } "b" { "source-value" 7.23855031 "source-unit" "angstrom" } "c" { "source-value" 8.71198332 "source-unit" "angstrom" } }