{ "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" [ [ 0.25 0.160902 0 ] [ 0.75 0.839098 0 ] [ 0.970905 0.645642 0.246478 ] [ 0.500641 0.102869 0.784372 ] [ 0.499359 0.897131 0.215628 ] [ 0.029095 0.354358 0.753522 ] [ 0.999359 0.102869 0.215628 ] [ 0.470905 0.354358 0.246478 ] [ 0.529095 0.645642 0.753522 ] [ 0.000641 0.897131 0.784372 ] ] } "species" { "source-value" [ "Zr" "Zr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.37969441811 "source-unit" "angstrom" } "b" { "source-value" 7.76045169 "source-unit" "angstrom" } "c" { "source-value" 6.7211201843 "source-unit" "angstrom" } "beta" { "source-value" 108.819336413 "source-unit" "degree" } }