{ "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" [ [ 0.965108 0.757623 0.070675 ] [ 0.034892 0.242377 0.929325 ] [ 0.534892 0.257623 0.429325 ] [ 0.465108 0.742377 0.570675 ] [ 0.506365 0.804427 0.829995 ] [ 0.006365 0.695573 0.329995 ] [ 0.993635 0.304427 0.670005 ] [ 0.493635 0.195573 0.170005 ] [ 0.788198 0.394725 0.337241 ] [ 0.798944 0.936164 0.930973 ] [ 0.635395 0.916439 0.701935 ] [ 0.211802 0.605275 0.662759 ] [ 0.201056 0.063836 0.069027 ] [ 0.711802 0.894725 0.162759 ] [ 0.864605 0.416439 0.798065 ] [ 0.288198 0.105275 0.837241 ] [ 0.298944 0.563836 0.430973 ] [ 0.701056 0.436164 0.569027 ] [ 0.364605 0.083561 0.298065 ] [ 0.135395 0.583561 0.201935 ] [ 0.773935 0.435316 0.014746 ] [ 0.226065 0.564684 0.985254 ] [ 0.273935 0.064684 0.514746 ] [ 0.726065 0.935316 0.485254 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.14890558662 "source-unit" "angstrom" } "b" { "source-value" 5.18150992 "source-unit" "angstrom" } "c" { "source-value" 12.5316176919 "source-unit" "angstrom" } "beta" { "source-value" 97.5231228404 "source-unit" "degree" } }