{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibca" } "basis-atom-coordinates" { "source-value" [ [ 0.715909 0.168471 0.942928 ] [ 0.215909 0.168471 0.057072 ] [ 0.715909 0.331529 0.057072 ] [ 0.215909 0.331529 0.942928 ] [ 0.314865 0.829403 0.318671 ] [ 0.685135 0.829403 0.181329 ] [ 0.185135 0.829403 0.818671 ] [ 0.814865 0.829403 0.681329 ] [ 0.75 0 0.548233 ] [ 0.75 0 0.048233 ] [ 0.25 0 0.951767 ] [ 0.25 0 0.451767 ] [ 0.185135 0.170597 0.318671 ] [ 0.685135 0.170597 0.681329 ] [ 0.814865 0.170597 0.181329 ] [ 0.314865 0.170597 0.818671 ] [ 0.284091 0.668471 0.942928 ] [ 0.784091 0.668471 0.057072 ] [ 0.784091 0.831529 0.942928 ] [ 0.284091 0.831529 0.057072 ] [ 0.215909 0.668471 0.442928 ] [ 0.715909 0.668471 0.557072 ] [ 0.215909 0.831529 0.557072 ] [ 0.715909 0.831529 0.442928 ] [ 0.814865 0.329403 0.818671 ] [ 0.185135 0.329403 0.681329 ] [ 0.685135 0.329403 0.318671 ] [ 0.314865 0.329403 0.181329 ] [ 0.25 0.5 0.048233 ] [ 0.25 0.5 0.548233 ] [ 0.75 0.5 0.451767 ] [ 0.75 0.5 0.951767 ] [ 0.685135 0.670597 0.818671 ] [ 0.185135 0.670597 0.181329 ] [ 0.314865 0.670597 0.681329 ] [ 0.814865 0.670597 0.318671 ] [ 0.784091 0.168471 0.442928 ] [ 0.284091 0.168471 0.557072 ] [ 0.284091 0.331529 0.442928 ] [ 0.784091 0.331529 0.557072 ] [ 0.524496 0.080103 0.995813 ] [ 0.024496 0.080103 0.004187 ] [ 0.846194 0.176092 0.09734 ] [ 0.346194 0.176092 0.90266 ] [ 0.66984 0.211568 0.807212 ] [ 0.16984 0.211568 0.192788 ] [ 0.043394 0.25 0 ] [ 0.543394 0.25 0 ] [ 0.16984 0.288432 0.807212 ] [ 0.66984 0.288432 0.192788 ] [ 0.846194 0.323908 0.90266 ] [ 0.346194 0.323908 0.09734 ] [ 0.524496 0.419897 0.004187 ] [ 0.024496 0.419897 0.995813 ] [ 0.975504 0.580103 0.004187 ] [ 0.475504 0.580103 0.995813 ] [ 0.653806 0.676092 0.90266 ] [ 0.153806 0.676092 0.09734 ] [ 0.83016 0.711568 0.192788 ] [ 0.33016 0.711568 0.807212 ] [ 0.956606 0.75 0 ] [ 0.456606 0.75 0 ] [ 0.83016 0.788432 0.807212 ] [ 0.33016 0.788432 0.192788 ] [ 0.653806 0.823908 0.09734 ] [ 0.153806 0.823908 0.90266 ] [ 0.475504 0.919897 0.004187 ] [ 0.975504 0.919897 0.995813 ] [ 0.024496 0.580103 0.495813 ] [ 0.524496 0.580103 0.504187 ] [ 0.346194 0.676092 0.59734 ] [ 0.846194 0.676092 0.40266 ] [ 0.16984 0.711568 0.307212 ] [ 0.66984 0.711568 0.692788 ] [ 0.543394 0.75 0.5 ] [ 0.043394 0.75 0.5 ] [ 0.66984 0.788432 0.307212 ] [ 0.16984 0.788432 0.692788 ] [ 0.346194 0.823908 0.40266 ] [ 0.846194 0.823908 0.59734 ] [ 0.024496 0.919897 0.504187 ] [ 0.524496 0.919897 0.495813 ] [ 0.475504 0.080103 0.504187 ] [ 0.975504 0.080103 0.495813 ] [ 0.153806 0.176092 0.40266 ] [ 0.653806 0.176092 0.59734 ] [ 0.33016 0.211568 0.692788 ] [ 0.83016 0.211568 0.307212 ] [ 0.456606 0.25 0.5 ] [ 0.956606 0.25 0.5 ] [ 0.33016 0.288432 0.307212 ] [ 0.83016 0.288432 0.692788 ] [ 0.153806 0.323908 0.59734 ] [ 0.653806 0.323908 0.40266 ] [ 0.975504 0.419897 0.504187 ] [ 0.475504 0.419897 0.495813 ] [ 0.25 0 0.596383 ] [ 0.25 0 0.096383 ] [ 0.75 0 0.903617 ] [ 0.75 0 0.403617 ] [ 0.75 0.5 0.096383 ] [ 0.75 0.5 0.596383 ] [ 0.25 0.5 0.403617 ] [ 0.25 0.5 0.903617 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.28540393 "source-unit" "angstrom" } "b" { "source-value" 15.6649888 "source-unit" "angstrom" } "c" { "source-value" 23.68392108 "source-unit" "angstrom" } }