{ "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" [ [ 0.729431 0.983508 0.274092 ] [ 0.270569 0.016492 0.725908 ] [ 0.797367 0.25 0.895521 ] [ 0.202633 0.75 0.104479 ] [ 0.729431 0.516492 0.274092 ] [ 0.270569 0.483508 0.725908 ] [ 0.788558 0.75 0.67009 ] [ 0.211442 0.25 0.32991 ] [ 0.7304 0.25 0.588839 ] [ 0.2696 0.75 0.411161 ] [ 0.668626 0.75 0.963516 ] [ 0.331374 0.25 0.036484 ] [ 0.170784 0.75 0.573945 ] [ 0.916062 0.75 0.937333 ] [ 0.514608 0.25 0.158555 ] [ 0.485392 0.75 0.841445 ] [ 0.160877 0.562758 0.306766 ] [ 0.083938 0.25 0.062667 ] [ 0.160877 0.937242 0.306766 ] [ 0.839123 0.437242 0.693234 ] [ 0.839123 0.062758 0.693234 ] [ 0.418357 0.25 0.569448 ] [ 0.600775 0.75 0.105127 ] [ 0.399225 0.25 0.894873 ] [ 0.581643 0.75 0.430552 ] [ 0.829216 0.25 0.426055 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "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" 5.03910037195 "source-unit" "angstrom" } "b" { "source-value" 6.45011525 "source-unit" "angstrom" } "c" { "source-value" 8.56688708827 "source-unit" "angstrom" } "beta" { "source-value" 96.7899145421 "source-unit" "degree" } }