{ "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 0.794628 0.75 ] [ 0 0.205372 0.25 ] [ 0.496613 0.828577 0.86433 ] [ 0.503387 0.828577 0.63567 ] [ 0.496613 0.171423 0.36433 ] [ 0.503387 0.171423 0.13567 ] [ 0.236144 0.320192 0.562398 ] [ 0.236144 0.679808 0.062398 ] [ 0.763856 0.320192 0.937602 ] [ 0.763856 0.679808 0.437602 ] [ 0.198778 0.17862 0.956762 ] [ 0.198778 0.82138 0.456762 ] [ 0.5 0.33115 0.75 ] [ 0.5 0.66885 0.25 ] [ 0.801222 0.17862 0.543238 ] [ 0.801222 0.82138 0.043238 ] [ 0.048034 0.298296 0.895941 ] [ 0.048034 0.701704 0.395941 ] [ 0.241619 0.914881 0.945109 ] [ 0.241619 0.085119 0.445109 ] [ 0.306331 0.680743 0.531557 ] [ 0.306331 0.319257 0.031557 ] [ 0.404865 0.180734 0.672022 ] [ 0.404865 0.819266 0.172022 ] [ 0.5 0.594729 0.75 ] [ 0.5 0.405271 0.25 ] [ 0.595135 0.180734 0.827978 ] [ 0.595135 0.819266 0.327978 ] [ 0.693669 0.680743 0.968443 ] [ 0.693669 0.319257 0.468443 ] [ 0.758381 0.914881 0.554891 ] [ 0.758381 0.085119 0.054891 ] [ 0.951966 0.298296 0.604059 ] [ 0.951966 0.701704 0.104059 ] ] } "species" { "source-value" [ "Rb" "Rb" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "B" "B" "B" "B" "B" "B" "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" 6.4642384 "source-unit" "angstrom" } "b" { "source-value" 5.12370309 "source-unit" "angstrom" } "c" { "source-value" 13.12012159 "source-unit" "angstrom" } "beta" { "source-value" 91.44439547 "source-unit" "degree" } }