{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.240376 0.457856 0.231552 ] [ 0.240376 0.042144 0.231552 ] [ 0.759624 0.542144 0.768448 ] [ 0.759624 0.957856 0.768448 ] [ 0.820402 0.75 0.353089 ] [ 0.179598 0.25 0.646911 ] [ 0.746021 0.25 0.395565 ] [ 0.253979 0.75 0.604435 ] [ 0.724568 0.75 0.069678 ] [ 0.275432 0.25 0.930322 ] [ 0.257779 0.25 0.06917 ] [ 0.953084 0.75 0.160943 ] [ 0.514066 0.75 0.141417 ] [ 0.884575 0.062972 0.328225 ] [ 0.884575 0.437028 0.328225 ] [ 0.189873 0.75 0.426832 ] [ 0.449046 0.25 0.365458 ] [ 0.550954 0.75 0.634542 ] [ 0.810127 0.25 0.573168 ] [ 0.115425 0.562972 0.671775 ] [ 0.115425 0.937028 0.671775 ] [ 0.485934 0.25 0.858583 ] [ 0.046916 0.25 0.839057 ] [ 0.742221 0.75 0.93083 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "As" "As" "P" "P" "C" "C" "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" 5.09745307 "source-unit" "angstrom" } "b" { "source-value" 6.5417413 "source-unit" "angstrom" } "c" { "source-value" 8.94338738 "source-unit" "angstrom" } "beta" { "source-value" 93.92856431 "source-unit" "degree" } }