{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.74771 0.32532 ] [ 0.75 0.25229 0.67468 ] [ 0.25 0.24771 0.17468 ] [ 0.75 0.75229 0.82532 ] [ 0.75 0.401415 0.95055 ] [ 0.25 0.598585 0.04945 ] [ 0.25 0.098585 0.45055 ] [ 0.75 0.901415 0.54945 ] [ 0.75 0.950915 0.117339 ] [ 0.25 0.049085 0.882661 ] [ 0.75 0.450915 0.382661 ] [ 0.25 0.549085 0.617339 ] [ 0.75 0.649707 0.538943 ] [ 0.25 0.350293 0.461057 ] [ 0.25 0.850293 0.038943 ] [ 0.75 0.149707 0.961057 ] [ 0.75 0.522404 0.160125 ] [ 0.25 0.477596 0.839875 ] [ 0.75 0.022404 0.339875 ] [ 0.25 0.977596 0.660125 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.2981159 "source-unit" "angstrom" } "b" { "source-value" 10.14279464 "source-unit" "angstrom" } "c" { "source-value" 11.01366506 "source-unit" "angstrom" } }