{ "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" [ [ 0.082431 0.68323 0.713981 ] [ 0.124931 0.172942 0.607152 ] [ 0.344392 0.386796 0.922983 ] [ 0.082431 0.81677 0.213981 ] [ 0.124931 0.327058 0.107152 ] [ 0.434117 0.916523 0.797594 ] [ 0.344392 0.113204 0.422983 ] [ 0.565883 0.416523 0.702406 ] [ 0.434117 0.583477 0.297594 ] [ 0.655608 0.886796 0.577017 ] [ 0.565883 0.083477 0.202406 ] [ 0.875069 0.672942 0.892848 ] [ 0.917569 0.18323 0.786019 ] [ 0.655608 0.613204 0.077017 ] [ 0.875069 0.827058 0.392848 ] [ 0.917569 0.31677 0.286019 ] [ 0.257898 0.618135 0.512312 ] [ 0.257898 0.881865 0.012312 ] [ 0.742102 0.118135 0.987688 ] [ 0.742102 0.381865 0.487688 ] [ 0.184477 0.038188 0.858029 ] [ 0.144988 0.833381 0.497972 ] [ 0.291314 0.487643 0.673308 ] [ 0.184477 0.461812 0.358029 ] [ 0.144988 0.666619 0.997972 ] [ 0.416516 0.731751 0.52392 ] [ 0.583484 0.231751 0.97608 ] [ 0.291314 0.012357 0.173308 ] [ 0.708686 0.987643 0.826692 ] [ 0.416516 0.768249 0.02392 ] [ 0.583484 0.268249 0.47608 ] [ 0.855012 0.333381 0.002028 ] [ 0.815523 0.538188 0.641971 ] [ 0.708686 0.512357 0.326692 ] [ 0.855012 0.166619 0.502028 ] [ 0.815523 0.961812 0.141971 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Sb" "Sb" "Sb" "Sb" "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" 11.53130755 "source-unit" "angstrom" } "b" { "source-value" 7.18432601 "source-unit" "angstrom" } "c" { "source-value" 11.67336743 "source-unit" "angstrom" } "beta" { "source-value" 111.41257127 "source-unit" "degree" } }