{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.001727 0.75 0.735141 ] [ 0.501727 0.25 0.764859 ] [ 0.998273 0.25 0.264859 ] [ 0.498273 0.75 0.235141 ] [ 0.587742 0.75 0.908202 ] [ 0.087742 0.25 0.591798 ] [ 0.412258 0.25 0.091798 ] [ 0.912258 0.75 0.408202 ] [ 0.258442 0.490146 0.668443 ] [ 0.758442 0.509854 0.831557 ] [ 0.741558 0.990146 0.331557 ] [ 0.241558 0.009854 0.168443 ] [ 0.741558 0.509854 0.331557 ] [ 0.241558 0.490146 0.168443 ] [ 0.258442 0.009854 0.668443 ] [ 0.758442 0.990146 0.831557 ] [ 0.746166 0.75 0.071611 ] [ 0.246166 0.25 0.428389 ] [ 0.253834 0.25 0.928389 ] [ 0.753834 0.75 0.571611 ] [ 0.220867 0.75 0.909623 ] [ 0.720867 0.25 0.590377 ] [ 0.779133 0.25 0.090377 ] [ 0.279133 0.75 0.409623 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Zn" "Zn" "Zn" "Zn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.26795112 "source-unit" "angstrom" } "b" { "source-value" 7.72716023 "source-unit" "angstrom" } "c" { "source-value" 13.29924549 "source-unit" "angstrom" } }