{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.707187 0.5 0.990951 ] [ 0.660985 0.5 0.358883 ] [ 0.634225 0.5 0.65053 ] [ 0.206551 0.5 0.492689 ] [ 0.157867 0.5 0.856917 ] [ 0.132287 0.5 0.151147 ] [ 0.366799 0 0.005649 ] [ 0.325627 0 0.314314 ] [ 0.863367 0 0.504497 ] [ 0.824141 0 0.81553 ] [ 0.813097 0 0.179293 ] [ 0.312405 0 0.679699 ] [ 0.999989 0.5 0.666697 ] [ 0.998596 0 0.998954 ] [ 0.997752 0.5 0.333325 ] [ 0.502378 0.5 0.167355 ] [ 0.499605 0 0.501228 ] [ 0.501017 0.5 0.832284 ] [ 0.986477 0.5 0.430359 ] [ 0.981484 0.5 0.763424 ] [ 0.863799 0.5 0.608816 ] [ 0.85822 0.5 0.278526 ] [ 0.846053 0 0.957464 ] [ 0.655138 0.5 0.126239 ] [ 0.652341 0.5 0.789578 ] [ 0.63853 0 0.445848 ] [ 0.513929 0 0.598127 ] [ 0.49014 0.5 0.929193 ] [ 0.487354 0.5 0.264243 ] [ 0.36314 0.5 0.111987 ] [ 0.360503 0.5 0.778437 ] [ 0.346681 0 0.460183 ] [ 0.154582 0.5 0.627558 ] [ 0.148581 0.5 0.290561 ] [ 0.136715 0 0.94333 ] [ 0.012462 0 0.096188 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "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" 8.25420898 "source-unit" "angstrom" } "b" { "source-value" 3.15172671 "source-unit" "angstrom" } "c" { "source-value" 14.30723964 "source-unit" "angstrom" } "beta" { "source-value" 90.06399604 "source-unit" "degree" } }