{ "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" [ [ 0.756993 0.75 0.53144 ] [ 0.243007 0.25 0.46856 ] [ 0.644545 0.75 0.146359 ] [ 0.355455 0.25 0.853641 ] [ 0.452528 0.393174 0.694499 ] [ 0.547472 0.893174 0.305501 ] [ 0.547472 0.606826 0.305501 ] [ 0.452528 0.106826 0.694499 ] [ 0.684989 0.25 0.988721 ] [ 0.315011 0.75 0.011279 ] [ 0.51897 0.25 0.348884 ] [ 0.48103 0.75 0.651116 ] [ 0.021469 0.25 0.684717 ] [ 0.978531 0.75 0.315283 ] [ 0.245308 0.101144 0.974547 ] [ 0.754692 0.601144 0.025453 ] [ 0.754692 0.898856 0.025453 ] [ 0.245308 0.398856 0.974547 ] [ 0.050532 0.093641 0.335687 ] [ 0.949468 0.593641 0.664313 ] [ 0.949468 0.906359 0.664313 ] [ 0.050532 0.406359 0.335687 ] ] } "species" { "source-value" [ "Te" "Te" "W" "W" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.11290629197 "source-unit" "angstrom" } "b" { "source-value" 12.17127293 "source-unit" "angstrom" } "c" { "source-value" 10.385843759 "source-unit" "angstrom" } "beta" { "source-value" 103.417167745 "source-unit" "degree" } }