{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.015643 0.705818 0.438369 ] [ 0.515643 0.294182 0.561631 ] [ 0.515643 0.794182 0.938369 ] [ 0.015643 0.205818 0.061631 ] [ 0.259181 0.705228 0.14819 ] [ 0.759181 0.294772 0.85181 ] [ 0.759181 0.794772 0.64819 ] [ 0.259181 0.205228 0.35181 ] [ 0.266671 0.96268 0.247119 ] [ 0.766671 0.03732 0.752881 ] [ 0.766671 0.53732 0.747119 ] [ 0.266671 0.46268 0.252881 ] [ 0.259318 0.79381 0.647572 ] [ 0.759318 0.20619 0.352428 ] [ 0.759318 0.70619 0.147572 ] [ 0.259318 0.29381 0.852428 ] [ 0.510605 0.964009 0.143991 ] [ 0.010605 0.035991 0.856009 ] [ 0.010605 0.535991 0.643991 ] [ 0.510605 0.464009 0.356009 ] [ 0.512169 0.948586 0.349123 ] [ 0.012169 0.051414 0.650877 ] [ 0.012169 0.551414 0.849123 ] [ 0.512169 0.448586 0.150877 ] [ 0.002254 0.712493 0.250715 ] [ 0.502254 0.287507 0.749285 ] [ 0.502254 0.787507 0.750715 ] [ 0.002254 0.212493 0.249285 ] [ 0.00956 0.693089 0.046382 ] [ 0.50956 0.306911 0.953618 ] [ 0.50956 0.806911 0.546382 ] [ 0.00956 0.193089 0.453618 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ta" "Ta" "Ta" "Ta" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.05544098 "source-unit" "angstrom" } "b" { "source-value" 8.36367438 "source-unit" "angstrom" } "c" { "source-value" 21.13015497 "source-unit" "angstrom" } }