{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1cn" } "basis-atom-coordinates" { "source-value" [ [ 0.046317 0.768586 0.599677 ] [ 0.546317 0.268586 0.900323 ] [ 0.546317 0.231414 0.400323 ] [ 0.046317 0.731414 0.099677 ] [ 0.765821 0.646257 0.345035 ] [ 0.265821 0.146257 0.154965 ] [ 0.765821 0.853743 0.845035 ] [ 0.265821 0.353743 0.654965 ] [ 0.223361 0.459529 0.280051 ] [ 0.723361 0.959529 0.219949 ] [ 0.723361 0.540471 0.719949 ] [ 0.223361 0.040471 0.780051 ] [ 0.949928 0.046931 0.635308 ] [ 0.449928 0.546931 0.864692 ] [ 0.449928 0.953069 0.364692 ] [ 0.281219 0.131585 0.553243 ] [ 0.781219 0.868415 0.446757 ] [ 0.781219 0.631585 0.946757 ] [ 0.949928 0.453069 0.135308 ] [ 0.281219 0.368415 0.053243 ] [ 0.453532 0.528208 0.648177 ] [ 0.953532 0.028208 0.851823 ] [ 0.339557 0.260575 0.034541 ] [ 0.118225 0.991913 0.646597 ] [ 0.941206 0.086269 0.182033 ] [ 0.941206 0.413731 0.682033 ] [ 0.840132 0.719414 0.731853 ] [ 0.840132 0.780586 0.231853 ] [ 0.441206 0.586269 0.317967 ] [ 0.441206 0.913731 0.817967 ] [ 0.839557 0.739425 0.965459 ] [ 0.339557 0.239425 0.534541 ] [ 0.839557 0.760575 0.465459 ] [ 0.340132 0.219414 0.768147 ] [ 0.953532 0.471792 0.351823 ] [ 0.118225 0.508087 0.146597 ] [ 0.618225 0.008087 0.353403 ] [ 0.340132 0.280586 0.268147 ] [ 0.453532 0.971792 0.148177 ] [ 0.618225 0.491913 0.853403 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.0728679 "source-unit" "angstrom" } "b" { "source-value" 8.47431274 "source-unit" "angstrom" } "c" { "source-value" 12.00864356 "source-unit" "angstrom" } }