{ "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" [ [ 0.763409 0.524277 0.240192 ] [ 0.236591 0.024277 0.759808 ] [ 0.222098 0.23586 0.348559 ] [ 0.777902 0.73586 0.651441 ] [ 0.276309 0.252971 0.083651 ] [ 0.723691 0.752971 0.916349 ] [ 0.273292 0.748082 0.423307 ] [ 0.726708 0.248082 0.576693 ] [ 0.698867 0.75076 0.054874 ] [ 0.049172 0.249171 0.153421 ] [ 0.473665 0.257451 0.187036 ] [ 0.224491 0.915036 0.333763 ] [ 0.196849 0.578665 0.339605 ] [ 0.86089 0.258097 0.425752 ] [ 0.571936 0.731779 0.464219 ] [ 0.428064 0.231779 0.535781 ] [ 0.13911 0.758097 0.574248 ] [ 0.803151 0.078665 0.660395 ] [ 0.775509 0.415036 0.666237 ] [ 0.526335 0.757451 0.812964 ] [ 0.950828 0.749171 0.846579 ] [ 0.301133 0.25076 0.945126 ] ] } "species" { "source-value" [ "Na" "Na" "Cu" "Cu" "C" "C" "S" "S" "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" 5.0317942 "source-unit" "angstrom" } "b" { "source-value" 7.1968783 "source-unit" "angstrom" } "c" { "source-value" 8.83600115 "source-unit" "angstrom" } "beta" { "source-value" 92.00926392 "source-unit" "degree" } }