{ "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" [ [ 0.764033 0.476642 0.189377 ] [ 0.764033 0.023358 0.189377 ] [ 0.235967 0.523358 0.810623 ] [ 0.235967 0.976642 0.810623 ] [ 0.215677 0.25 0.326858 ] [ 0.784323 0.75 0.673142 ] [ 0.262261 0.25 0.056031 ] [ 0.737739 0.75 0.943969 ] [ 0.277141 0.75 0.437584 ] [ 0.722859 0.25 0.562416 ] [ 0.715359 0.75 0.091601 ] [ 0.027315 0.25 0.131144 ] [ 0.465921 0.25 0.174731 ] [ 0.194807 0.945803 0.336212 ] [ 0.194807 0.554197 0.336212 ] [ 0.86027 0.25 0.413881 ] [ 0.570358 0.75 0.472531 ] [ 0.429642 0.25 0.527469 ] [ 0.13973 0.75 0.586119 ] [ 0.805193 0.445803 0.663788 ] [ 0.805193 0.054197 0.663788 ] [ 0.534079 0.75 0.825269 ] [ 0.972685 0.75 0.868856 ] [ 0.284641 0.25 0.908399 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "B" "B" "P" "P" "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" 5.2236479 "source-unit" "angstrom" } "b" { "source-value" 6.22686091 "source-unit" "angstrom" } "c" { "source-value" 8.80945518 "source-unit" "angstrom" } "beta" { "source-value" 93.97526833 "source-unit" "degree" } }