{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.234568 0.59049 0.407202 ] [ 0.234568 0.40951 0.907202 ] [ 0.765432 0.40951 0.592798 ] [ 0.765432 0.59049 0.092798 ] [ 0.293771 0.983196 0.666493 ] [ 0.293771 0.016804 0.166493 ] [ 0.706229 0.983196 0.833507 ] [ 0.706229 0.016804 0.333507 ] [ 0.5 0.870181 0.25 ] [ 0.5 0.129819 0.75 ] [ 0.847933 0.268307 0.816535 ] [ 0.580445 0.306877 0.361857 ] [ 0.789675 0.833995 0.727218 ] [ 0.086296 0.151222 0.083513 ] [ 0.419555 0.693123 0.638143 ] [ 0.913704 0.848778 0.916487 ] [ 0.210325 0.833995 0.772782 ] [ 0.847933 0.731693 0.316535 ] [ 0.210325 0.166005 0.272782 ] [ 0.419555 0.306877 0.138143 ] [ 0.086296 0.848778 0.583513 ] [ 0.359095 0.860644 0.055743 ] [ 0.152067 0.731693 0.183465 ] [ 0.640905 0.139356 0.944257 ] [ 0.789675 0.166005 0.227218 ] [ 0.152067 0.268307 0.683465 ] [ 0.913704 0.151222 0.416487 ] [ 0.359095 0.139356 0.555743 ] [ 0.580445 0.693123 0.861857 ] [ 0.640905 0.860644 0.444257 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sb" "Sb" "Sb" "Sb" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 7.59680098839 "source-unit" "angstrom" } "b" { "source-value" 5.4651785 "source-unit" "angstrom" } "c" { "source-value" 14.2733465789 "source-unit" "angstrom" } "beta" { "source-value" 100.596559259 "source-unit" "degree" } }