{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.535251 0.833058 0.318981 ] [ 0.058282 0.999114 0.688721 ] [ 0.941718 0.500886 0.188721 ] [ 0.558282 0.000886 0.811279 ] [ 0.441718 0.499114 0.311279 ] [ 0.035251 0.166942 0.181019 ] [ 0.964749 0.333058 0.681019 ] [ 0.464749 0.666942 0.818981 ] [ 0.997256 0.336714 0.9873 ] [ 0.011076 0.837122 0.16543 ] [ 0.924486 0.664556 0.020152 ] [ 0.075514 0.835444 0.520152 ] [ 0.065464 0.003848 0.015167 ] [ 0.424486 0.335444 0.479848 ] [ 0.434536 0.503848 0.984833 ] [ 0.488924 0.337122 0.83457 ] [ 0.934536 0.496152 0.515167 ] [ 0.497256 0.663286 0.5127 ] [ 0.511076 0.162878 0.33457 ] [ 0.002744 0.163286 0.4873 ] [ 0.575514 0.164556 0.979848 ] [ 0.502744 0.836714 0.0127 ] [ 0.988924 0.662878 0.66543 ] [ 0.565464 0.996152 0.484833 ] [ 0.479183 0.324542 0.131039 ] [ 0.547149 0.822619 0.64393 ] [ 0.953399 0.500225 0.862263 ] [ 0.952851 0.322619 0.35607 ] [ 0.979183 0.675458 0.368961 ] [ 0.047149 0.177381 0.85607 ] [ 0.453399 0.499775 0.637737 ] [ 0.520817 0.175458 0.631039 ] [ 0.046601 0.999775 0.362263 ] [ 0.020817 0.824542 0.868961 ] [ 0.452851 0.677381 0.14393 ] [ 0.546601 0.000225 0.137737 ] [ 0.436268 0.895637 0.56319 ] [ 0.210139 0.244206 0.123471 ] [ 0.31441 0.572127 0.369113 ] [ 0.311213 0.227886 0.557586 ] [ 0.895307 0.094912 0.121541 ] [ 0.215533 0.424735 0.883628 ] [ 0.240363 0.569065 0.575065 ] [ 0.809609 0.60611 0.440027 ] [ 0.104693 0.405088 0.621541 ] [ 0.81441 0.427873 0.130887 ] [ 0.715533 0.575265 0.616372 ] [ 0.309609 0.39389 0.059973 ] [ 0.259637 0.069065 0.424935 ] [ 0.943128 0.920752 0.635576 ] [ 0.262628 0.24224 0.921114 ] [ 0.740363 0.430935 0.924935 ] [ 0.395307 0.905088 0.378459 ] [ 0.801667 0.040694 0.746888 ] [ 0.220035 0.251955 0.379897 ] [ 0.063732 0.395637 0.43681 ] [ 0.755377 0.383722 0.740455 ] [ 0.811213 0.772114 0.942414 ] [ 0.301667 0.959306 0.753112 ] [ 0.784467 0.075265 0.383628 ] [ 0.688787 0.272114 0.057586 ] [ 0.244623 0.116278 0.240455 ] [ 0.685845 0.711498 0.758624 ] [ 0.279965 0.751955 0.620103 ] [ 0.744623 0.883722 0.259545 ] [ 0.936268 0.104363 0.93681 ] [ 0.422225 0.065505 0.052842 ] [ 0.814155 0.211498 0.241376 ] [ 0.604693 0.594912 0.878459 ] [ 0.314155 0.788502 0.258624 ] [ 0.720035 0.748045 0.120103 ] [ 0.289861 0.744206 0.876529 ] [ 0.556872 0.420752 0.364424 ] [ 0.710139 0.755794 0.376529 ] [ 0.077775 0.565505 0.947158 ] [ 0.690391 0.10611 0.559973 ] [ 0.198333 0.459306 0.246888 ] [ 0.779965 0.248045 0.879897 ] [ 0.789861 0.255794 0.623471 ] [ 0.922225 0.934495 0.447158 ] [ 0.698333 0.540694 0.253112 ] [ 0.18559 0.072127 0.630887 ] [ 0.762628 0.75776 0.578886 ] [ 0.188787 0.727886 0.442414 ] [ 0.737372 0.25776 0.421114 ] [ 0.255377 0.616278 0.759545 ] [ 0.759637 0.930935 0.075065 ] [ 0.577775 0.434495 0.552842 ] [ 0.056872 0.579248 0.135576 ] [ 0.68559 0.927873 0.869113 ] [ 0.563732 0.604363 0.06319 ] [ 0.237372 0.74224 0.078886 ] [ 0.185845 0.288502 0.741376 ] [ 0.284467 0.924735 0.116372 ] [ 0.190391 0.89389 0.940027 ] [ 0.443128 0.079248 0.864424 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.47985495 "source-unit" "angstrom" } "b" { "source-value" 16.37836946 "source-unit" "angstrom" } "c" { "source-value" 16.68679695 "source-unit" "angstrom" } }