{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.242819 0.644139 0.147654 ] [ 0.237709 0.928598 0.435099 ] [ 0.757181 0.355861 0.852346 ] [ 0.207865 0.29632 0.779694 ] [ 0.792135 0.70368 0.220306 ] [ 0.762291 0.071402 0.564901 ] [ 0.66942 0.076224 0.809896 ] [ 0.084492 0.31183 0.012729 ] [ 0.915508 0.68817 0.987271 ] [ 0.912443 0.982528 0.27502 ] [ 0.101954 0.644246 0.391712 ] [ 0.898046 0.355754 0.608288 ] [ 0.33058 0.923776 0.190104 ] [ 0.087557 0.017472 0.72498 ] [ 0.351823 0.668461 0.85998 ] [ 0.645659 0.727808 0.540993 ] [ 0.648177 0.331539 0.14002 ] [ 0.354341 0.272192 0.459007 ] ] } "species" { "source-value" [ "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.56550299145 "source-unit" "angstrom" } "b" { "source-value" 9.09708732222 "source-unit" "angstrom" } "c" { "source-value" 9.14643192884 "source-unit" "angstrom" } "alpha" { "source-value" 91.2375285677 "source-unit" "degree" } "beta" { "source-value" 108.748085638 "source-unit" "degree" } "gamma" { "source-value" 95.4965754241 "source-unit" "degree" } }