{ "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" [ [ 0.237919 0.435605 0.16008 ] [ 0.237919 0.064395 0.16008 ] [ 0.414309 0.75 0.501875 ] [ 0.585691 0.25 0.498125 ] [ 0.762081 0.935605 0.83992 ] [ 0.762081 0.564395 0.83992 ] [ 0.248357 0.75 0.887012 ] [ 0.751643 0.25 0.112988 ] [ 0.00162 0.75 0.231283 ] [ 0.136056 0.25 0.458836 ] [ 0.282724 0.457419 0.716741 ] [ 0.282724 0.042581 0.716741 ] [ 0.717276 0.957419 0.283259 ] [ 0.717276 0.542581 0.283259 ] [ 0.863944 0.75 0.541164 ] [ 0.99838 0.25 0.768717 ] [ 0.145663 0.39586 0.84279 ] [ 0.145663 0.10414 0.84279 ] [ 0.066582 0.75 0.453738 ] [ 0.080172 0.25 0.236029 ] [ 0.290443 0.389451 0.532109 ] [ 0.290443 0.110549 0.532109 ] [ 0.21164 0.75 0.155178 ] [ 0.417055 0.911075 0.778245 ] [ 0.417055 0.588925 0.778245 ] [ 0.582945 0.088925 0.221755 ] [ 0.582945 0.411075 0.221755 ] [ 0.78836 0.25 0.844822 ] [ 0.709557 0.889451 0.467891 ] [ 0.709557 0.610549 0.467891 ] [ 0.919828 0.75 0.763971 ] [ 0.933418 0.25 0.546262 ] [ 0.854337 0.89586 0.15721 ] [ 0.854337 0.60414 0.15721 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "B" "B" "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" 5.8926756 "source-unit" "angstrom" } "b" { "source-value" 8.54380316 "source-unit" "angstrom" } "c" { "source-value" 6.70440198 "source-unit" "angstrom" } "beta" { "source-value" 103.38170837 "source-unit" "degree" } }