{ "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" [ [ 0.117816 0.644145 0.5969 ] [ 0.617816 0.855855 0.0969 ] [ 0.882184 0.355855 0.4031 ] [ 0.250649 0.027224 0.544834 ] [ 0.249351 0.527224 0.955166 ] [ 0.749351 0.972776 0.455166 ] [ 0.750649 0.472776 0.044834 ] [ 0.615997 0.724001 0.727215 ] [ 0.884003 0.224001 0.772785 ] [ 0.384003 0.275999 0.272785 ] [ 0.115997 0.775999 0.227215 ] [ 0.382184 0.144145 0.9031 ] [ 0.459291 0.371528 0.61781 ] [ 0.959291 0.128472 0.11781 ] [ 0.540709 0.628472 0.38219 ] [ 0.040709 0.871528 0.88219 ] [ 0.933089 0.731374 0.937776 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.042565 0.075531 0.265285 ] [ 0.566911 0.231374 0.562224 ] [ 0.066911 0.268626 0.062224 ] [ 0.433089 0.768626 0.437776 ] [ 0.234915 0.34601 0.624455 ] [ 0.265085 0.84601 0.875545 ] [ 0.765085 0.65399 0.375545 ] [ 0.734915 0.15399 0.124455 ] [ 0.542565 0.424469 0.765285 ] [ 0.957435 0.924469 0.734715 ] [ 0.457435 0.575531 0.234715 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.28968367745 "source-unit" "angstrom" } "b" { "source-value" 9.64442715 "source-unit" "angstrom" } "c" { "source-value" 9.82513515288 "source-unit" "angstrom" } "beta" { "source-value" 90.0111757646 "source-unit" "degree" } }