{ "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" [ [ 0.10402 0.433355 0.596951 ] [ 0.89598 0.566645 0.403049 ] [ 0.702568 0.216968 0.340098 ] [ 0.297432 0.783032 0.659902 ] [ 0.979687 0.290488 0.225387 ] [ 0.020313 0.709512 0.774613 ] [ 0.911978 0.36316 0.380369 ] [ 0.088022 0.63684 0.619631 ] [ 0.334093 0.420934 0.606275 ] [ 0.665907 0.579066 0.393725 ] [ 0.086457 0.32426 0.764756 ] [ 0.913543 0.67574 0.235244 ] [ 0.721253 0.003591 0.303866 ] [ 0.278747 0.996409 0.696134 ] [ 0.49052 0.229695 0.142475 ] [ 0.50948 0.770305 0.857525 ] [ 0.640272 0.232294 0.522763 ] [ 0.359728 0.767706 0.477237 ] [ 0.085499 0.117955 0.279341 ] [ 0.914501 0.882045 0.720659 ] [ 0.77144 0.216069 0.999882 ] [ 0.22856 0.783931 0.000118 ] [ 0.159585 0.446239 0.202649 ] [ 0.840415 0.553761 0.797351 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "C" "C" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.93485249487 "source-unit" "angstrom" } "b" { "source-value" 9.38135576767 "source-unit" "angstrom" } "c" { "source-value" 9.51931091107 "source-unit" "angstrom" } "alpha" { "source-value" 96.633502425 "source-unit" "degree" } "beta" { "source-value" 115.916070892 "source-unit" "degree" } "gamma" { "source-value" 101.977559914 "source-unit" "degree" } }