{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.750579 0.084059 0.87945 ] [ 0.744006 0.082257 0.378345 ] [ 0.000579 0.256527 0.623457 ] [ 0.499333 0.256029 0.623617 ] [ 0.999864 0.255147 0.125948 ] [ 0.498188 0.745141 0.874831 ] [ 0.498276 0.744245 0.37713 ] [ 0.00074 0.744693 0.376623 ] [ 0.523193 0.273643 0.116058 ] [ 0.020585 0.728776 0.884111 ] [ 0.242382 0.909638 0.627049 ] [ 0.254266 0.911811 0.124641 ] [ 0.25445 0.359616 0.889732 ] [ 0.250922 0.362148 0.387226 ] [ 0.751289 0.641895 0.612794 ] [ 0.7541 0.643567 0.110137 ] [ 0.756894 0.413662 0.85426 ] [ 0.745442 0.408673 0.3503 ] [ 0.245655 0.597405 0.650384 ] [ 0.255783 0.592264 0.145981 ] [ 0.24107 0.044556 0.868151 ] [ 0.250997 0.052008 0.363951 ] [ 0.751053 0.94167 0.634096 ] [ 0.741343 0.94722 0.131117 ] [ 0.75124 0.086327 0.644809 ] [ 0.723496 0.092505 0.140175 ] [ 0.247294 0.085898 0.989069 ] [ 0.249605 0.089425 0.486879 ] [ 0.256041 0.145915 0.77399 ] [ 0.253308 0.155668 0.272217 ] [ 0.938843 0.316785 0.895352 ] [ 0.571459 0.326609 0.905335 ] [ 0.93334 0.316483 0.387796 ] [ 0.565248 0.316564 0.40023 ] [ 0.748478 0.425757 0.701869 ] [ 0.249448 0.43769 0.589622 ] [ 0.733238 0.423694 0.197433 ] [ 0.26742 0.429979 0.090023 ] [ 0.76808 0.576417 0.907896 ] [ 0.233005 0.577386 0.802564 ] [ 0.749416 0.569155 0.408413 ] [ 0.247768 0.575855 0.297936 ] [ 0.431787 0.69241 0.614623 ] [ 0.067751 0.693559 0.601994 ] [ 0.435779 0.691968 0.106571 ] [ 0.071646 0.682033 0.096393 ] [ 0.753044 0.854531 0.737922 ] [ 0.75357 0.862342 0.236687 ] [ 0.748595 0.88008 0.519225 ] [ 0.748631 0.88294 0.018455 ] [ 0.221411 0.903644 0.836997 ] [ 0.250071 0.911733 0.330133 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "C" "C" "C" "C" "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" 6.77743446 "source-unit" "angstrom" } "b" { "source-value" 8.86920465 "source-unit" "angstrom" } "c" { "source-value" 10.23184952 "source-unit" "angstrom" } "alpha" { "source-value" 89.12510483 "source-unit" "degree" } "beta" { "source-value" 89.95173914 "source-unit" "degree" } "gamma" { "source-value" 89.90715581 "source-unit" "degree" } }