{ "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" [ [ 0.67345 0.75 0.727818 ] [ 0.308658 0.557708 0.566858 ] [ 0.846132 0.25 0.20917 ] [ 0.191342 0.942292 0.066858 ] [ 0.308658 0.942292 0.566858 ] [ 0.691342 0.442292 0.433142 ] [ 0.808658 0.442292 0.933142 ] [ 0.974906 0.75 0.504165 ] [ 0.153868 0.75 0.79083 ] [ 0.32655 0.25 0.272182 ] [ 0.474906 0.25 0.995835 ] [ 0.808658 0.057708 0.933142 ] [ 0.191342 0.557708 0.066858 ] [ 0.025094 0.25 0.495835 ] [ 0.346132 0.75 0.29083 ] [ 0.691342 0.057708 0.433142 ] [ 0.525094 0.75 0.004165 ] [ 0.82655 0.75 0.227818 ] [ 0.653868 0.25 0.70917 ] [ 0.17345 0.25 0.772182 ] [ 0.094887 0.25 0.022684 ] [ 0.934255 0.490646 0.673378 ] [ 0.434255 0.990646 0.826622 ] [ 0.065745 0.990646 0.326622 ] [ 0.434255 0.509354 0.826622 ] [ 0.594887 0.75 0.477316 ] [ 0.405113 0.25 0.522684 ] [ 0.565745 0.490646 0.173378 ] [ 0.065745 0.509354 0.326622 ] [ 0.905113 0.75 0.977316 ] [ 0.565745 0.009354 0.173378 ] [ 0.934255 0.009354 0.673378 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.08300233 "source-unit" "angstrom" } "b" { "source-value" 9.23633784 "source-unit" "angstrom" } "c" { "source-value" 11.77972958 "source-unit" "angstrom" } }