{ "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 0.64049 0.243212 ] [ 0.75 0.35951 0.756788 ] [ 0.75 0.14049 0.256788 ] [ 0.25 0.85951 0.743212 ] [ 0.25 0.570132 0.957216 ] [ 0.75 0.429868 0.042784 ] [ 0.75 0.070132 0.542784 ] [ 0.25 0.929868 0.457216 ] [ 0.75 0.849926 0.58911 ] [ 0.25 0.150074 0.41089 ] [ 0.25 0.349926 0.91089 ] [ 0.75 0.650074 0.08911 ] [ 0.25 0.225483 0.622671 ] [ 0.75 0.774517 0.377329 ] [ 0.75 0.725483 0.877329 ] [ 0.25 0.274517 0.122671 ] [ 0.25 0.559731 0.78973 ] [ 0.75 0.440269 0.21027 ] [ 0.75 0.059731 0.71027 ] [ 0.25 0.940269 0.28973 ] [ 0.25 0.522437 0.129889 ] [ 0.75 0.477563 0.870111 ] [ 0.75 0.022437 0.370111 ] [ 0.25 0.977563 0.629889 ] [ 0.25 0.443253 0.64824 ] [ 0.75 0.556747 0.35176 ] [ 0.75 0.943253 0.85176 ] [ 0.25 0.056747 0.14824 ] [ 0.75 0.693767 0.706379 ] [ 0.25 0.306233 0.293621 ] [ 0.25 0.193767 0.793621 ] [ 0.75 0.806233 0.206379 ] [ 0.25 0.7862 0.000624 ] [ 0.75 0.2138 0.999376 ] [ 0.75 0.2862 0.499376 ] [ 0.25 0.7138 0.500624 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Fe" "Fe" "Fe" "Fe" "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" 3.67073882 "source-unit" "angstrom" } "b" { "source-value" 13.37794766 "source-unit" "angstrom" } "c" { "source-value" 18.07708301 "source-unit" "angstrom" } }