{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.151757 0.39141 ] [ 0.75 0.848243 0.60859 ] [ 0.75 0.651757 0.10859 ] [ 0.25 0.348243 0.89141 ] [ 0.25 0.455955 0.339964 ] [ 0.75 0.544045 0.660036 ] [ 0.75 0.955955 0.160036 ] [ 0.25 0.044045 0.839964 ] [ 0.25 0.734627 0.233399 ] [ 0.75 0.265373 0.766601 ] [ 0.75 0.234627 0.266601 ] [ 0.25 0.765373 0.733399 ] [ 0.25 0.116124 0.034247 ] [ 0.75 0.883876 0.965753 ] [ 0.75 0.616124 0.465753 ] [ 0.25 0.383876 0.534247 ] [ 0.25 0.415139 0.146729 ] [ 0.75 0.584861 0.853271 ] [ 0.75 0.915139 0.353271 ] [ 0.25 0.084861 0.646729 ] [ 0.25 0.613093 0.983101 ] [ 0.75 0.386907 0.016899 ] [ 0.75 0.113093 0.516899 ] [ 0.25 0.886907 0.483101 ] [ 0.25 0.850694 0.068884 ] [ 0.75 0.149306 0.931116 ] [ 0.75 0.350694 0.431116 ] [ 0.25 0.649306 0.568884 ] [ 0.25 0.711938 0.372631 ] [ 0.75 0.288062 0.627369 ] [ 0.75 0.211938 0.127369 ] [ 0.25 0.788062 0.872631 ] [ 0.25 0.020368 0.260837 ] [ 0.75 0.979632 0.739163 ] [ 0.75 0.520368 0.239163 ] [ 0.25 0.479632 0.760837 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "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" 4.06698735 "source-unit" "angstrom" } "b" { "source-value" 11.54166612 "source-unit" "angstrom" } "c" { "source-value" 22.20945229 "source-unit" "angstrom" } }