{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.388768 0.554449 0.333667 ] [ 0.887669 0.944715 0.333903 ] [ 0.611232 0.054449 0.666333 ] [ 0.112331 0.444715 0.666097 ] [ 0.247686 0.978994 0.996088 ] [ 0.752314 0.478994 0.003912 ] [ 0.528775 0.22214 0.054683 ] [ 0.02737 0.26453 0.055667 ] [ 0.97263 0.76453 0.944333 ] [ 0.471225 0.72214 0.945317 ] [ 0.235663 0.139438 0.809375 ] [ 0.265325 0.860523 0.191565 ] [ 0.734675 0.360523 0.808435 ] [ 0.764337 0.639438 0.190625 ] [ 0.610651 0.814466 0.441262 ] [ 0.10898 0.681835 0.439036 ] [ 0.389349 0.314466 0.558738 ] [ 0.89102 0.181835 0.560964 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "W" "W" "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" 5.62345024692 "source-unit" "angstrom" } "b" { "source-value" 5.06106137586 "source-unit" "angstrom" } "c" { "source-value" 9.37754219747 "source-unit" "angstrom" } "beta" { "source-value" 95.7010471937 "source-unit" "degree" } }