{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.822739 0.40462 0.778432 ] [ 0.177261 0.59538 0.221568 ] [ 0.020753 0.508457 0.685275 ] [ 0.979247 0.491543 0.314725 ] [ 0.391645 0.070253 0.755136 ] [ 0.608355 0.929747 0.244864 ] [ 0.740232 0.836627 0.092576 ] [ 0.259768 0.163373 0.907424 ] [ 0.294671 0.841794 0.15391 ] [ 0.705329 0.158206 0.84609 ] [ 0.661878 0.233535 0.326842 ] [ 0.338122 0.766465 0.673158 ] [ 0.712604 0.801834 0.389786 ] [ 0.287396 0.198166 0.610214 ] [ 0.146891 0.453029 0.275929 ] [ 0.853109 0.546971 0.724071 ] ] } "species" { "source-value" [ "Cu" "Cu" "H" "H" "H" "H" "S" "S" "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" 5.05667978245 "source-unit" "angstrom" } "b" { "source-value" 5.24511299777 "source-unit" "angstrom" } "c" { "source-value" 7.81662327308 "source-unit" "angstrom" } "alpha" { "source-value" 108.984516792 "source-unit" "degree" } "beta" { "source-value" 108.003022269 "source-unit" "degree" } "gamma" { "source-value" 90.4217908255 "source-unit" "degree" } }