{ "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" [ [ 0.256093 0.010068 0.009091 ] [ 0.243907 0.510068 0.490909 ] [ 0.743907 0.989932 0.990909 ] [ 0.756093 0.489932 0.509091 ] [ 0.341514 0.549408 0.183036 ] [ 0.158486 0.049408 0.316964 ] [ 0.658486 0.450592 0.816964 ] [ 0.841514 0.950592 0.683036 ] [ 0.805398 0.470596 0.149929 ] [ 0.694602 0.970596 0.350071 ] [ 0.194602 0.529404 0.850071 ] [ 0.305398 0.029404 0.649929 ] [ 0.595503 0.01578 0.16954 ] [ 0.904497 0.51578 0.33046 ] [ 0.404497 0.98422 0.83046 ] [ 0.095503 0.48422 0.66954 ] [ 0.91929 0.488519 0.957415 ] [ 0.58071 0.988519 0.542585 ] [ 0.08071 0.511481 0.042585 ] [ 0.41929 0.011481 0.457415 ] [ 0.719461 0.455655 0.997298 ] [ 0.780539 0.955655 0.502702 ] [ 0.280539 0.544345 0.002702 ] [ 0.219461 0.044345 0.497298 ] [ 0.591565 0.776916 0.104943 ] [ 0.908435 0.276916 0.395057 ] [ 0.408435 0.223084 0.895057 ] [ 0.091565 0.723084 0.604943 ] [ 0.806417 0.088003 0.219887 ] [ 0.693583 0.588003 0.280113 ] [ 0.193583 0.911997 0.780113 ] [ 0.306417 0.411997 0.719887 ] [ 0.047158 0.467415 0.256475 ] [ 0.452842 0.967415 0.243525 ] [ 0.952842 0.532585 0.743525 ] [ 0.547158 0.032585 0.756475 ] [ 0.056276 0.264142 0.099775 ] [ 0.443724 0.764142 0.400225 ] [ 0.943724 0.735858 0.900225 ] [ 0.556276 0.235858 0.599775 ] [ 0.019995 0.749469 0.096559 ] [ 0.480005 0.249469 0.403441 ] [ 0.980005 0.250531 0.903441 ] [ 0.519995 0.750531 0.596559 ] [ 0.529017 0.252846 0.108493 ] [ 0.970983 0.752846 0.391507 ] [ 0.470983 0.747154 0.891507 ] [ 0.029017 0.247154 0.608493 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "La" "La" "La" "La" "P" "P" "P" "P" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.61446844294 "source-unit" "angstrom" } "b" { "source-value" 7.34274923 "source-unit" "angstrom" } "c" { "source-value" 21.2689687171 "source-unit" "angstrom" } "beta" { "source-value" 96.4892579773 "source-unit" "degree" } }