{ "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" [ [ 0.227889 0.757062 0.427876 ] [ 0.772111 0.257062 0.572124 ] [ 0.288494 0.75636 0.952553 ] [ 0.711506 0.25636 0.047447 ] [ 0.719771 0.742683 0.795785 ] [ 0.280229 0.242683 0.204215 ] [ 0.896795 0.729528 0.065884 ] [ 0.103205 0.229528 0.934116 ] [ 0.922381 0.732785 0.635216 ] [ 0.077619 0.232785 0.364784 ] [ 0.511956 0.997893 0.739952 ] [ 0.488044 0.497893 0.260048 ] [ 0.49475 0.49888 0.73351 ] [ 0.50525 0.99888 0.26649 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Zn" "Zn" "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" 7.4187448869 "source-unit" "angstrom" } "b" { "source-value" 7.66314676 "source-unit" "angstrom" } "c" { "source-value" 9.28128119822 "source-unit" "angstrom" } "beta" { "source-value" 108.532153739 "source-unit" "degree" } }