{ "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" [ [ 0.788554 0.745631 0.750571 ] [ 0.211446 0.254369 0.249429 ] [ 0.541445 0.22196 0.021335 ] [ 0.346897 0.843112 0.08213 ] [ 0.099066 0.325643 0.607389 ] [ 0.900934 0.674357 0.392611 ] [ 0.458555 0.77804 0.978665 ] [ 0.653103 0.156888 0.91787 ] [ 0.178934 0.717843 0.51909 ] [ 0.500625 0.843159 0.293439 ] [ 0.821066 0.282157 0.48091 ] [ 0.100122 0.343929 0.796789 ] [ 0.499375 0.156841 0.706561 ] [ 0.899878 0.656071 0.203211 ] [ 0.697419 0.866603 0.60532 ] [ 0.534821 0.609866 0.742672 ] [ 0.041181 0.881052 0.759606 ] [ 0.228159 0.400573 0.364087 ] [ 0.465179 0.390134 0.257328 ] [ 0.958819 0.118948 0.240394 ] [ 0.771841 0.599427 0.635913 ] [ 0.876709 0.622776 0.896315 ] [ 0.195416 0.108735 0.13483 ] [ 0.123291 0.377224 0.103685 ] [ 0.302581 0.133397 0.39468 ] [ 0.804584 0.891265 0.86517 ] ] } "species" { "source-value" [ "As" "As" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.8299037691 "source-unit" "angstrom" } "b" { "source-value" 8.45469534411 "source-unit" "angstrom" } "c" { "source-value" 10.3486169418 "source-unit" "angstrom" } "alpha" { "source-value" 80.8359735401 "source-unit" "degree" } "beta" { "source-value" 112.104236895 "source-unit" "degree" } "gamma" { "source-value" 115.881360789 "source-unit" "degree" } }