{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.000107 0.769161 0.99525 ] [ 0.000107 0.230839 0.49525 ] [ 0.500107 0.269161 0.99525 ] [ 0.500107 0.730839 0.49525 ] [ 0.290495 0.121278 0.284171 ] [ 0.290495 0.878722 0.784171 ] [ 0.790495 0.621278 0.284171 ] [ 0.790495 0.378722 0.784171 ] [ 0.899776 0.248344 0.696171 ] [ 0.808089 0.150589 0.304767 ] [ 0.128283 0.998462 0.619718 ] [ 0.899776 0.751656 0.196171 ] [ 0.193583 0.250879 0.386983 ] [ 0.128283 0.001538 0.119718 ] [ 0.193583 0.749121 0.886983 ] [ 0.448668 0.992173 0.44674 ] [ 0.448668 0.007827 0.94674 ] [ 0.808089 0.849411 0.804767 ] [ 0.399776 0.748344 0.696171 ] [ 0.308089 0.650589 0.304767 ] [ 0.628283 0.498462 0.619718 ] [ 0.399776 0.251656 0.196171 ] [ 0.693583 0.750879 0.386983 ] [ 0.628283 0.501538 0.119718 ] [ 0.693583 0.249121 0.886983 ] [ 0.948668 0.492173 0.44674 ] [ 0.948668 0.507827 0.94674 ] [ 0.308089 0.349411 0.804767 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "P" "P" "P" "P" "O" "O" "O" "O" "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" 7.34847651238 "source-unit" "angstrom" } "b" { "source-value" 7.06271008613 "source-unit" "angstrom" } "c" { "source-value" 7.38904574859 "source-unit" "angstrom" } "beta" { "source-value" 115.273591798 "source-unit" "degree" } }