{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.919258 ] [ 0 0.5 0.580742 ] [ 0.5 0 0.080742 ] [ 0 0.5 0.419258 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.328131 0.896337 0.371343 ] [ 0.828131 0.603663 0.128657 ] [ 0.171869 0.396337 0.128657 ] [ 0.671869 0.103663 0.371343 ] [ 0.671869 0.103663 0.628657 ] [ 0.171869 0.396337 0.871343 ] [ 0.828131 0.603663 0.871343 ] [ 0.328131 0.896337 0.628657 ] [ 0 0 0.260683 ] [ 0.5 0.5 0.239317 ] [ 0 0 0.739317 ] [ 0.5 0.5 0.760683 ] [ 0.732724 0.914797 0 ] [ 0.232724 0.585203 0.5 ] [ 0.767276 0.414797 0.5 ] [ 0.267276 0.085203 0 ] [ 0.347227 0.861699 0.853117 ] [ 0.847227 0.638301 0.646883 ] [ 0.152773 0.361699 0.646883 ] [ 0.652773 0.138301 0.853117 ] [ 0.652773 0.138301 0.146883 ] [ 0.152773 0.361699 0.353117 ] [ 0.847227 0.638301 0.353117 ] [ 0.347227 0.861699 0.146883 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "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" 5.53285578 "source-unit" "angstrom" } "b" { "source-value" 10.34686686 "source-unit" "angstrom" } "c" { "source-value" 16.81912852 "source-unit" "angstrom" } }