{ "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" [ [ 0.744172 0.187781 0.902533 ] [ 0.255828 0.812219 0.097467 ] [ 0.077394 0.281371 0.836935 ] [ 0.922606 0.718629 0.163065 ] [ 0.738331 0.294287 0.570025 ] [ 0.261669 0.705713 0.429975 ] [ 0.82286 0.974432 0.658925 ] [ 0.17714 0.025568 0.341075 ] [ 0.653513 0.191186 0.048863 ] [ 0.346487 0.808814 0.951137 ] [ 0.975422 0.283581 0.996806 ] [ 0.024578 0.716419 0.003194 ] [ 0.63679 0.296638 0.730341 ] [ 0.36321 0.703362 0.269659 ] [ 0.721028 0.978367 0.818802 ] [ 0.278972 0.021633 0.181198 ] [ 0.287214 0.367994 0.923295 ] [ 0.712786 0.632006 0.076705 ] [ 0.969432 0.391006 0.665731 ] [ 0.030568 0.608994 0.334269 ] [ 0.053651 0.071717 0.75378 ] [ 0.946349 0.928283 0.24622 ] [ 0.642255 0.392978 0.413527 ] [ 0.357745 0.607022 0.586473 ] [ 0.716991 0.08494 0.487661 ] [ 0.283009 0.91506 0.512339 ] [ 0.80157 0.784307 0.583677 ] [ 0.19843 0.215693 0.416323 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.67888927723 "source-unit" "angstrom" } "b" { "source-value" 9.82382053504 "source-unit" "angstrom" } "c" { "source-value" 9.82486748495 "source-unit" "angstrom" } "alpha" { "source-value" 92.8943274567 "source-unit" "degree" } "beta" { "source-value" 109.711837221 "source-unit" "degree" } "gamma" { "source-value" 100.660577469 "source-unit" "degree" } }