{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.708039 0.129573 0.961145 ] [ 0.291961 0.629573 0.538855 ] [ 0.995681 0.614838 0.254081 ] [ 0.004319 0.114838 0.245919 ] [ 0.995681 0.885162 0.754081 ] [ 0.004319 0.385162 0.745919 ] [ 0.708039 0.370427 0.461145 ] [ 0.291961 0.870427 0.038855 ] [ 0.728895 0.630736 0.971521 ] [ 0.271105 0.130736 0.528479 ] [ 0.728895 0.869264 0.471521 ] [ 0.271105 0.369264 0.028479 ] [ 0.293542 0.879203 0.392365 ] [ 0.181147 0.138445 0.115317 ] [ 0.816002 0.398009 0.88008 ] [ 0.265101 0.3589 0.39245 ] [ 0.183998 0.898009 0.61992 ] [ 0.734899 0.8589 0.10755 ] [ 0.293542 0.620797 0.892365 ] [ 0.181147 0.361555 0.615317 ] [ 0.818853 0.638445 0.384683 ] [ 0.706458 0.379203 0.107635 ] [ 0.265101 0.1411 0.89245 ] [ 0.816002 0.101991 0.38008 ] [ 0.734899 0.6411 0.60755 ] [ 0.183998 0.601991 0.11992 ] [ 0.818853 0.861555 0.884683 ] [ 0.706458 0.120797 0.607635 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Fe" "Fe" "Fe" "Fe" "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" 5.16292475 "source-unit" "angstrom" } "b" { "source-value" 5.91871113 "source-unit" "angstrom" } "c" { "source-value" 11.02650057 "source-unit" "angstrom" } "beta" { "source-value" 117.8590361 "source-unit" "degree" } }