{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.477232 0.075469 0.757685 ] [ 0.022768 0.575469 0.742315 ] [ 0.522768 0.924531 0.242315 ] [ 0.977232 0.424531 0.257685 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.86218 0.936106 0.761648 ] [ 0.63782 0.436106 0.738352 ] [ 0.13782 0.063894 0.238352 ] [ 0.36218 0.563894 0.261648 ] [ 0.31251 0.822056 0.93542 ] [ 0.18749 0.322056 0.56458 ] [ 0.68749 0.177944 0.06458 ] [ 0.81251 0.677944 0.43542 ] [ 0.832851 0.695567 0.076993 ] [ 0.667149 0.195567 0.423007 ] [ 0.167149 0.304433 0.923007 ] [ 0.332851 0.804433 0.576993 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Er" "Er" "Cl" "Cl" "Cl" "Cl" "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" 6.91223978513 "source-unit" "angstrom" } "b" { "source-value" 7.3077735 "source-unit" "angstrom" } "c" { "source-value" 10.1920433146 "source-unit" "angstrom" } "beta" { "source-value" 90.7605614157 "source-unit" "degree" } }