{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.0414 0.748078 0.943303 ] [ 0.9586 0.251922 0.056697 ] [ 0.443562 0.570116 0.663829 ] [ 0.556438 0.429884 0.336171 ] [ 0.667947 0.967583 0.255459 ] [ 0.332053 0.032417 0.744541 ] [ 0.874768 0.245672 0.615671 ] [ 0.125232 0.754328 0.384329 ] [ 0.56171 0.829376 0.948637 ] [ 0.43829 0.170624 0.051363 ] [ 0.642711 0.834535 0.500611 ] [ 0.357289 0.165465 0.499389 ] [ 0.676815 0.397952 0.860238 ] [ 0.323185 0.602048 0.139762 ] [ 0.778255 0.594254 0.135947 ] [ 0.221745 0.405746 0.864053 ] [ 0.04732 0.353773 0.379775 ] [ 0.95268 0.646227 0.620225 ] [ 0.176662 0.036559 0.222936 ] [ 0.823338 0.963441 0.777063 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.46630721902 "source-unit" "angstrom" } "b" { "source-value" 8.52063170063 "source-unit" "angstrom" } "c" { "source-value" 11.249224875 "source-unit" "angstrom" } "alpha" { "source-value" 107.351430353 "source-unit" "degree" } "beta" { "source-value" 96.7643307688 "source-unit" "degree" } "gamma" { "source-value" 100.130349053 "source-unit" "degree" } }