{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.020384 0.573701 0.591031 ] [ 0.479616 0.073701 0.408969 ] [ 0.191285 0.927493 0.930445 ] [ 0.071714 0.178517 0.551863 ] [ 0.742749 0.653921 0.611981 ] [ 0.390059 0.18337 0.714476 ] [ 0.914549 0.809807 0.950012 ] [ 0.109941 0.68337 0.285524 ] [ 0.520384 0.926299 0.591031 ] [ 0.808715 0.072507 0.069555 ] [ 0.851109 0.931143 0.762688 ] [ 0.257251 0.346079 0.388019 ] [ 0.074584 0.673731 0.781677 ] [ 0.266045 0.8126 0.119404 ] [ 0.148891 0.068857 0.237312 ] [ 0.242749 0.846079 0.611981 ] [ 0.428286 0.678517 0.448137 ] [ 0.691285 0.572507 0.930445 ] [ 0.733955 0.1874 0.880596 ] [ 0.979616 0.426299 0.408969 ] [ 0.085451 0.190193 0.049988 ] [ 0.233955 0.3126 0.880596 ] [ 0.425416 0.173731 0.218323 ] [ 0.890059 0.31663 0.714476 ] [ 0.609941 0.81663 0.285524 ] [ 0.925416 0.326269 0.218323 ] [ 0.351109 0.568857 0.762688 ] [ 0.574584 0.826269 0.781677 ] [ 0.757251 0.153921 0.388019 ] [ 0.308715 0.427493 0.069555 ] [ 0.766045 0.6874 0.119404 ] [ 0.571714 0.321483 0.551863 ] [ 0.928286 0.821483 0.448137 ] [ 0.414549 0.690193 0.950012 ] [ 0.585451 0.309807 0.049988 ] [ 0.648891 0.431143 0.237312 ] [ 0.449525 0.066938 0.906044 ] [ 0.38572 0.577327 0.251391 ] [ 0.550475 0.933062 0.093956 ] [ 0.11428 0.077327 0.748609 ] [ 0.283697 0.433742 0.582834 ] [ 0.716303 0.566258 0.417166 ] [ 0.216303 0.933742 0.417166 ] [ 0.61428 0.422673 0.748609 ] [ 0.949525 0.433062 0.906044 ] [ 0.88572 0.922673 0.251391 ] [ 0.783697 0.066258 0.582834 ] [ 0.050475 0.566938 0.093956 ] [ 0.153554 0.377458 0.703785 ] [ 0.514914 0.402821 0.367079 ] [ 0.330336 0.133113 0.530822 ] [ 0.830336 0.366887 0.530822 ] [ 0.688959 0.101711 0.207482 ] [ 0.169664 0.633113 0.469178 ] [ 0.354359 0.103447 0.042672 ] [ 0.653554 0.122542 0.703785 ] [ 0.669664 0.866887 0.469178 ] [ 0.645641 0.896553 0.957328 ] [ 0.311041 0.898289 0.792518 ] [ 0.014914 0.097179 0.367079 ] [ 0.188959 0.398289 0.207482 ] [ 0.854359 0.396553 0.042672 ] [ 0.496443 0.370666 0.875763 ] [ 0.985086 0.902821 0.632921 ] [ 0.346446 0.877458 0.296215 ] [ 0.003557 0.870666 0.124237 ] [ 0.503557 0.629334 0.124237 ] [ 0.145641 0.603447 0.957328 ] [ 0.485086 0.597179 0.632921 ] [ 0.811041 0.601711 0.792518 ] [ 0.846446 0.622542 0.296215 ] [ 0.996443 0.129334 0.875763 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.1619898033 "source-unit" "angstrom" } "b" { "source-value" 9.6640247 "source-unit" "angstrom" } "c" { "source-value" 19.5680351032 "source-unit" "angstrom" } "beta" { "source-value" 99.0802535747 "source-unit" "degree" } }