{ "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 0 0 ] [ 0 0.5 0 ] [ 0.958314 0.93582 0.669482 ] [ 0.958314 0.56418 0.669482 ] [ 0.041686 0.43582 0.330518 ] [ 0.041686 0.06418 0.330518 ] [ 0.674916 0.75 0.17538 ] [ 0.469122 0.25 0.134402 ] [ 0.580205 0.25 0.549895 ] [ 0.419795 0.75 0.450105 ] [ 0.530878 0.75 0.865598 ] [ 0.325084 0.25 0.82462 ] [ 0.847027 0.898284 0.184212 ] [ 0.847027 0.601716 0.184212 ] [ 0.772652 0.25 0.235904 ] [ 0.745623 0.397216 0.534293 ] [ 0.745623 0.102784 0.534293 ] [ 0.722129 0.75 0.551497 ] [ 0.440292 0.75 0.026151 ] [ 0.697963 0.897626 0.856204 ] [ 0.697963 0.602374 0.856204 ] [ 0.467516 0.75 0.285227 ] [ 0.532484 0.25 0.714773 ] [ 0.302037 0.397626 0.143796 ] [ 0.302037 0.102374 0.143796 ] [ 0.559708 0.25 0.973849 ] [ 0.277871 0.25 0.448503 ] [ 0.254377 0.897216 0.465707 ] [ 0.254377 0.602784 0.465707 ] [ 0.227348 0.75 0.764096 ] [ 0.152973 0.398284 0.815788 ] [ 0.152973 0.101716 0.815788 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "O" "O" "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" 4.74408983465 "source-unit" "angstrom" } "b" { "source-value" 8.65783797 "source-unit" "angstrom" } "c" { "source-value" 9.49294029844 "source-unit" "angstrom" } "beta" { "source-value" 102.23630635 "source-unit" "degree" } }