{ "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" [ [ 0.909921 0.299112 0.279283 ] [ 0.090079 0.700888 0.720717 ] [ 0.5 0.5 0.5 ] [ 0.626499 0.748765 0.237398 ] [ 0.221109 0.805214 0.248811 ] [ 0.778891 0.194786 0.751189 ] [ 0.373501 0.251235 0.762602 ] [ 0.892807 0.751302 0.089083 ] [ 0.389012 0.302047 0.156408 ] [ 0.370369 0.176868 0.298251 ] [ 0.728435 0.972665 0.451906 ] [ 0.271565 0.027335 0.548094 ] [ 0.629631 0.823132 0.701749 ] [ 0.610988 0.697953 0.843592 ] [ 0.107193 0.248698 0.910917 ] [ 0.022112 0.801721 0.078471 ] [ 0.695207 0.683995 0.082462 ] [ 0.384421 0.78225 0.145815 ] [ 0.425437 0.291236 0.28613 ] [ 0.726039 0.937227 0.322584 ] [ 0.257114 0.989756 0.354162 ] [ 0.236719 0.647806 0.354612 ] [ 0.664505 0.625625 0.382127 ] [ 0.335495 0.374375 0.617873 ] [ 0.763281 0.352194 0.645388 ] [ 0.742886 0.010244 0.645838 ] [ 0.273961 0.062773 0.677416 ] [ 0.574563 0.708764 0.71387 ] [ 0.615579 0.21775 0.854185 ] [ 0.304793 0.316005 0.917538 ] [ 0.977888 0.198279 0.921529 ] ] } "species" { "source-value" [ "Cs" "Cs" "Mg" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 7.08131183 "source-unit" "angstrom" } "b" { "source-value" 7.52918549 "source-unit" "angstrom" } "c" { "source-value" 8.03264973 "source-unit" "angstrom" } "alpha" { "source-value" 96.4916337 "source-unit" "degree" } "beta" { "source-value" 111.0731282 "source-unit" "degree" } "gamma" { "source-value" 87.69122006 "source-unit" "degree" } }