{ "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" [ [ 0.960768 0.903606 0.365895 ] [ 0.039232 0.096394 0.634105 ] [ 0.433693 0.585927 0.15539 ] [ 0.566307 0.414073 0.84461 ] [ 0.854197 0.334295 0.161 ] [ 0.145803 0.665705 0.839 ] [ 0.181477 0.256415 0.285322 ] [ 0.818523 0.743585 0.714678 ] [ 0.846357 0.462778 0.359719 ] [ 0.153643 0.537222 0.640281 ] [ 0.374181 0.95331 0.371266 ] [ 0.625819 0.04669 0.628734 ] [ 0.581853 0.157866 0.263236 ] [ 0.418147 0.842134 0.736764 ] [ 0.841035 0.512601 0.957814 ] [ 0.158965 0.487399 0.042186 ] [ 0.81435 0.583621 0.515197 ] [ 0.18565 0.416379 0.484803 ] [ 0.495909 0.703379 0.423761 ] [ 0.504091 0.296621 0.576239 ] [ 0.718662 0.803372 0.976385 ] [ 0.281338 0.196628 0.023615 ] [ 0.0789 0.753279 0.069711 ] [ 0.9211 0.246721 0.930289 ] [ 0.785692 0.176973 0.224114 ] [ 0.214308 0.823027 0.775886 ] [ 0.790589 0.409292 0.012338 ] [ 0.209411 0.590708 0.987662 ] [ 0.088195 0.301577 0.150004 ] [ 0.911805 0.698423 0.849996 ] [ 0.747329 0.455416 0.253296 ] [ 0.252671 0.544584 0.746704 ] [ 0.733818 0.572265 0.444737 ] [ 0.266182 0.427735 0.555263 ] [ 0.051103 0.366327 0.384682 ] [ 0.948897 0.633673 0.615318 ] [ 0.186676 0.078947 0.368978 ] [ 0.813324 0.921053 0.631022 ] [ 0.398367 0.285484 0.245455 ] [ 0.601633 0.714516 0.754545 ] [ 0.355309 0.791472 0.414987 ] [ 0.644691 0.208528 0.585013 ] [ 0.574219 0.988776 0.330853 ] [ 0.425781 0.011224 0.669147 ] [ 0.589392 0.828918 0.0536 ] [ 0.410608 0.171082 0.9464 ] [ 0.027992 0.812053 0.151587 ] [ 0.972008 0.187947 0.848413 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 6.62941526 "source-unit" "angstrom" } "b" { "source-value" 8.62914814 "source-unit" "angstrom" } "c" { "source-value" 9.64737523 "source-unit" "angstrom" } "alpha" { "source-value" 71.71634608 "source-unit" "degree" } "beta" { "source-value" 76.8532909 "source-unit" "degree" } "gamma" { "source-value" 72.04840017 "source-unit" "degree" } }