{ "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" [ [ 0.000742 0.997997 0.255225 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.33442 0.666589 0.343792 ] [ 0.339936 0.667278 0.094956 ] [ 0.660064 0.332722 0.905044 ] [ 0.66558 0.333411 0.656208 ] [ 0.999258 0.002003 0.744775 ] [ 0.32848 0.665007 0.849173 ] [ 0.332994 0.667262 0.649255 ] [ 0.667006 0.332738 0.350745 ] [ 0.67152 0.334993 0.150827 ] [ 0.039057 0.61941 0.752183 ] [ 0.293884 0.948415 0.598844 ] [ 0.282612 0.932254 0.91023 ] [ 0.051093 0.344231 0.600315 ] [ 0.060329 0.354158 0.91096 ] [ 0.575113 0.956897 0.753073 ] [ 0.381544 0.423349 0.753988 ] [ 0.366 0.291108 0.084639 ] [ 0.347182 0.29429 0.400673 ] [ 0.652818 0.70571 0.599327 ] [ 0.634 0.708892 0.915361 ] [ 0.618456 0.576651 0.246012 ] [ 0.424887 0.043103 0.246927 ] [ 0.939671 0.645842 0.08904 ] [ 0.948907 0.655769 0.399685 ] [ 0.717388 0.067746 0.08977 ] [ 0.706116 0.051585 0.401156 ] [ 0.960943 0.38059 0.247817 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ta" "Ta" "Ta" "Ta" "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" 5.7609264 "source-unit" "angstrom" } "b" { "source-value" 5.76243511 "source-unit" "angstrom" } "c" { "source-value" 14.87329634 "source-unit" "angstrom" } "alpha" { "source-value" 89.90478878 "source-unit" "degree" } "beta" { "source-value" 90.19984579 "source-unit" "degree" } "gamma" { "source-value" 119.95415965 "source-unit" "degree" } }