{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.266957 0.481509 0.733052 ] [ 0.733043 0.981509 0.266948 ] [ 0.774747 0.226828 0.894513 ] [ 0.245543 0.991672 0.740579 ] [ 0.754457 0.491672 0.259421 ] [ 0.225253 0.726828 0.105487 ] [ 0.783201 0.753274 0.662569 ] [ 0.216799 0.253274 0.337431 ] [ 0.726669 0.251848 0.587033 ] [ 0.273331 0.751848 0.412967 ] [ 0.699813 0.740202 0.956807 ] [ 0.300187 0.240202 0.043193 ] [ 0.375842 0.209552 0.904987 ] [ 0.947115 0.749591 0.929879 ] [ 0.521902 0.762493 0.83679 ] [ 0.83561 0.067889 0.689846 ] [ 0.798545 0.438449 0.696392 ] [ 0.151587 0.764296 0.571888 ] [ 0.421536 0.234698 0.557573 ] [ 0.578464 0.734698 0.442427 ] [ 0.848413 0.264296 0.428112 ] [ 0.201455 0.938449 0.303608 ] [ 0.16439 0.567889 0.310154 ] [ 0.478098 0.262493 0.16321 ] [ 0.052885 0.249591 0.070121 ] [ 0.624158 0.709552 0.095013 ] ] } "species" { "source-value" [ "Na" "Na" "Li" "Li" "Li" "Li" "Co" "Co" "P" "P" "C" "C" "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" 5.08343692 "source-unit" "angstrom" } "b" { "source-value" 6.56375351 "source-unit" "angstrom" } "c" { "source-value" 8.55594412 "source-unit" "angstrom" } "beta" { "source-value" 95.02883127 "source-unit" "degree" } }