{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.77003 0.018425 0.278291 ] [ 0.72997 0.518425 0.221709 ] [ 0.22997 0.981575 0.721709 ] [ 0.27003 0.481575 0.778291 ] [ 0.619613 0.795972 0.965735 ] [ 0.880387 0.295972 0.534265 ] [ 0.380387 0.204028 0.034265 ] [ 0.119613 0.704028 0.465735 ] [ 0.450067 0.90033 0.396176 ] [ 0.634896 0.464378 0.68405 ] [ 0.865104 0.964378 0.81595 ] [ 0.950067 0.59967 0.896176 ] [ 0.549933 0.09967 0.603824 ] [ 0.049933 0.40033 0.103824 ] [ 0.365104 0.535622 0.31595 ] [ 0.134896 0.035622 0.18405 ] [ 0.704544 0.402217 0.941187 ] [ 0.17617 0.83517 0.987861 ] [ 0.67617 0.66483 0.487861 ] [ 0.32383 0.33517 0.512139 ] [ 0.110454 0.310344 0.328935 ] [ 0.389546 0.810344 0.171065 ] [ 0.889546 0.689656 0.671065 ] [ 0.610454 0.189656 0.828935 ] [ 0.409733 0.223171 0.354439 ] [ 0.295456 0.597783 0.058813 ] [ 0.204544 0.097783 0.441187 ] [ 0.909733 0.276829 0.854439 ] [ 0.590267 0.776829 0.645561 ] [ 0.090267 0.723171 0.145561 ] [ 0.82383 0.16483 0.012139 ] [ 0.795456 0.902217 0.558813 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.62040152343 "source-unit" "angstrom" } "b" { "source-value" 9.85665442 "source-unit" "angstrom" } "c" { "source-value" 13.1077624618 "source-unit" "angstrom" } "beta" { "source-value" 106.572714959 "source-unit" "degree" } }