{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.178489 0.75 0.596363 ] [ 0.033043 0.75 0.332717 ] [ 0.585811 0.25 0.953049 ] [ 0.460083 0.25 0.70891 ] [ 0.539917 0.75 0.29109 ] [ 0.414189 0.75 0.046951 ] [ 0.966957 0.25 0.667283 ] [ 0.821511 0.25 0.403637 ] [ 0.094951 0.25 0.925795 ] [ 0.350399 0.25 0.44214 ] [ 0.210213 0.25 0.188561 ] [ 0.789787 0.75 0.811439 ] [ 0.649601 0.75 0.55786 ] [ 0.905049 0.75 0.074205 ] [ 0.049732 0.75 0.934509 ] [ 0.243767 0.25 0.831796 ] [ 0.190791 0.25 0.538686 ] [ 0.093529 0.25 0.309988 ] [ 0.177217 0.75 0.172283 ] [ 0.54237 0.75 0.692438 ] [ 0.385137 0.75 0.45484 ] [ 0.672827 0.75 0.93651 ] [ 0.327173 0.25 0.06349 ] [ 0.614863 0.25 0.54516 ] [ 0.45763 0.25 0.307562 ] [ 0.822783 0.25 0.827717 ] [ 0.906471 0.75 0.690012 ] [ 0.809209 0.75 0.461314 ] [ 0.756233 0.75 0.168204 ] [ 0.950268 0.25 0.065491 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "V" "V" "V" "V" "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" 6.89386851 "source-unit" "angstrom" } "b" { "source-value" 4.25998689 "source-unit" "angstrom" } "c" { "source-value" 12.2148605 "source-unit" "angstrom" } "beta" { "source-value" 103.37184134 "source-unit" "degree" } }