{ "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" [ [ 0.768838 0.478947 0.191762 ] [ 0.768838 0.021053 0.191762 ] [ 0.231162 0.521053 0.808238 ] [ 0.231162 0.978947 0.808238 ] [ 0.223375 0.25 0.351475 ] [ 0.776625 0.75 0.648525 ] [ 0.270565 0.25 0.059677 ] [ 0.729435 0.75 0.940323 ] [ 0.285332 0.75 0.419354 ] [ 0.714668 0.25 0.580646 ] [ 0.711746 0.75 0.084999 ] [ 0.040153 0.25 0.124618 ] [ 0.480123 0.25 0.153548 ] [ 0.184125 0.934032 0.333849 ] [ 0.184125 0.565968 0.333849 ] [ 0.811237 0.25 0.421599 ] [ 0.58124 0.75 0.427337 ] [ 0.41876 0.25 0.572663 ] [ 0.188763 0.75 0.578401 ] [ 0.815875 0.434032 0.666151 ] [ 0.815875 0.065968 0.666151 ] [ 0.519877 0.75 0.846452 ] [ 0.959847 0.75 0.875382 ] [ 0.288254 0.25 0.915001 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "C" "C" "S" "S" "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" 5.0652439 "source-unit" "angstrom" } "b" { "source-value" 6.44217512 "source-unit" "angstrom" } "c" { "source-value" 8.7795992 "source-unit" "angstrom" } "beta" { "source-value" 92.19734131 "source-unit" "degree" } }