{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.378205 0.25 0.640595 ] [ 0.621795 0.75 0.359405 ] [ 0.650866 0.75 0.824113 ] [ 0.349134 0.25 0.175887 ] [ 0.853195 0.25 0.929462 ] [ 0.146805 0.75 0.070538 ] [ 0.168375 0.75 0.600843 ] [ 0.831625 0.25 0.399157 ] [ 0.835206 0.25 0.547101 ] [ 0.164794 0.75 0.452899 ] [ 0.870029 0.75 0.634537 ] [ 0.129971 0.25 0.365463 ] [ 0.262507 0.576342 0.146168 ] [ 0.737493 0.076342 0.853832 ] [ 0.737493 0.423658 0.853832 ] [ 0.262507 0.923658 0.146168 ] [ 0.830863 0.75 0.055203 ] [ 0.169137 0.25 0.944797 ] [ 0.77445 0.25 0.072664 ] [ 0.22555 0.75 0.927336 ] [ 0.674059 0.079404 0.33148 ] [ 0.325941 0.579404 0.66852 ] [ 0.325941 0.920596 0.66852 ] [ 0.674059 0.420596 0.33148 ] ] } "species" { "source-value" [ "Na" "Na" "Er" "Er" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.74491347309 "source-unit" "angstrom" } "b" { "source-value" 6.89431789 "source-unit" "angstrom" } "c" { "source-value" 9.87401867534 "source-unit" "angstrom" } "beta" { "source-value" 97.237495788 "source-unit" "degree" } }