{ "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" [ [ 0.273774 0.577705 0.845631 ] [ 0.682637 0.864705 0.726892 ] [ 0.317363 0.135295 0.273108 ] [ 0.726226 0.422295 0.154369 ] [ 0.789505 0.375504 0.686178 ] [ 0.210495 0.624496 0.313822 ] [ 0.836704 0.919463 0.262894 ] [ 0.163296 0.080537 0.737106 ] [ 0.623122 0.838601 0.121414 ] [ 0.554446 0.313812 0.677738 ] [ 0.65612 0.431957 0.484226 ] [ 0.044649 0.065601 0.886037 ] [ 0.873912 0.093254 0.196495 ] [ 0.171687 0.432323 0.143846 ] [ 0.963855 0.717045 0.253943 ] [ 0.445554 0.686188 0.322262 ] [ 0.036145 0.282955 0.746057 ] [ 0.844193 0.961138 0.504473 ] [ 0.75463 0.096514 0.451486 ] [ 0.146497 0.580941 0.484334 ] [ 0.34388 0.568043 0.515774 ] [ 0.155807 0.038862 0.495527 ] [ 0.376878 0.161399 0.878586 ] [ 0.955351 0.934399 0.113963 ] [ 0.853503 0.419059 0.515666 ] [ 0.24537 0.903486 0.548514 ] [ 0.828313 0.567677 0.856154 ] [ 0.708763 0.237971 0.77341 ] [ 0.126088 0.906746 0.803505 ] [ 0.291237 0.762029 0.22659 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.92729106958 "source-unit" "angstrom" } "b" { "source-value" 8.9174496875 "source-unit" "angstrom" } "c" { "source-value" 9.08827227732 "source-unit" "angstrom" } "alpha" { "source-value" 115.049600181 "source-unit" "degree" } "beta" { "source-value" 111.848745677 "source-unit" "degree" } "gamma" { "source-value" 81.3329950273 "source-unit" "degree" } }