{ "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" [ [ 0.763672 0.526762 0.240377 ] [ 0.236328 0.026762 0.759623 ] [ 0.210848 0.234422 0.355884 ] [ 0.789152 0.734422 0.644116 ] [ 0.276804 0.743377 0.429576 ] [ 0.723196 0.243377 0.570424 ] [ 0.27449 0.255968 0.082177 ] [ 0.72551 0.755968 0.917823 ] [ 0.690861 0.755722 0.051793 ] [ 0.051754 0.252013 0.13655 ] [ 0.4604 0.258403 0.179055 ] [ 0.216949 0.935135 0.335013 ] [ 0.20253 0.550423 0.338196 ] [ 0.868624 0.254405 0.427168 ] [ 0.567131 0.735518 0.470106 ] [ 0.432869 0.235518 0.529894 ] [ 0.131376 0.754405 0.572832 ] [ 0.79747 0.050423 0.661804 ] [ 0.783051 0.435135 0.664987 ] [ 0.5396 0.758403 0.820945 ] [ 0.948246 0.752013 0.86345 ] [ 0.309139 0.255722 0.948207 ] ] } "species" { "source-value" [ "Na" "Na" "Fe" "Fe" "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" 5.28184382 "source-unit" "angstrom" } "b" { "source-value" 6.44809495 "source-unit" "angstrom" } "c" { "source-value" 9.21206266 "source-unit" "angstrom" } "beta" { "source-value" 92.15961954 "source-unit" "degree" } }