{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.258777 0.75 ] [ 0 0.741223 0.25 ] [ 0.293466 0.476385 0.000287 ] [ 0.706389 0.021233 0.851327 ] [ 0.293611 0.021233 0.648673 ] [ 0.706534 0.476385 0.499713 ] [ 0.293466 0.523615 0.500287 ] [ 0.706389 0.978767 0.351327 ] [ 0.293611 0.978767 0.148673 ] [ 0.706534 0.523615 0.999713 ] [ 0 0.758323 0.75 ] [ 0 0.241677 0.25 ] [ 0.5 0.5 0 ] [ 0.136956 0.520453 0.864335 ] [ 0.859352 0.996954 0.790762 ] [ 0.743715 0.816285 0.962563 ] [ 0.724228 0.317387 0.901328 ] [ 0.140648 0.996954 0.709238 ] [ 0.863044 0.520453 0.635665 ] [ 0.5 0.965777 0.75 ] [ 0.275772 0.317387 0.598672 ] [ 0.743715 0.183715 0.462563 ] [ 0.256285 0.816285 0.537437 ] [ 0.724228 0.682613 0.401328 ] [ 0.5 0.5 0.5 ] [ 0.5 0.034223 0.25 ] [ 0.136956 0.479547 0.364335 ] [ 0.859352 0.003046 0.290762 ] [ 0.275772 0.682613 0.098672 ] [ 0.256285 0.183715 0.037437 ] [ 0.140648 0.003046 0.209238 ] [ 0.863044 0.479547 0.135665 ] ] } "species" { "source-value" [ "Li" "Li" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "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" 7.81520152 "source-unit" "angstrom" } "b" { "source-value" 5.17931243 "source-unit" "angstrom" } "c" { "source-value" 11.9043875 "source-unit" "angstrom" } "beta" { "source-value" 112.82252135 "source-unit" "degree" } }