{ "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" [ [ 0.138672 0.004061 0.253369 ] [ 0.689168 0.244309 0.757253 ] [ 0.255117 0.995537 0.770714 ] [ 0.377523 0.27386 0.488935 ] [ 0.332485 0.217126 0.990287 ] [ 0.648819 0.287513 0.277338 ] [ 0.743399 0.513149 0.016224 ] [ 0.745897 0.498008 0.503389 ] [ 0.634259 0.698703 0.277729 ] [ 0.64833 0.755175 0.773102 ] [ 0.372173 0.734257 0.500684 ] [ 0.365615 0.763492 0.987229 ] [ 0.83261 0.007431 0.003373 ] [ 0.8535 0.001103 0.502656 ] [ 0.15723 0.488407 0.739793 ] [ 0.174191 0.504951 0.236604 ] [ 0.831656 0.008737 0.352781 ] [ 0.116668 0.997346 0.541888 ] [ 0.844292 0.997426 0.853152 ] [ 0.082095 0.007164 0.063352 ] [ 0.714995 0.196974 0.567958 ] [ 0.685463 0.212211 0.049582 ] [ 0.321531 0.294714 0.786307 ] [ 0.292133 0.290062 0.288192 ] [ 0.177047 0.506437 0.086908 ] [ 0.918095 0.507223 0.296228 ] [ 0.157769 0.497373 0.589427 ] [ 0.901028 0.479025 0.796669 ] [ 0.287884 0.713773 0.287932 ] [ 0.28287 0.689216 0.79311 ] [ 0.720849 0.802047 0.560888 ] [ 0.696638 0.81319 0.064352 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.62092717 "source-unit" "angstrom" } "b" { "source-value" 6.23277203 "source-unit" "angstrom" } "c" { "source-value" 10.30148613 "source-unit" "angstrom" } "alpha" { "source-value" 89.48498923 "source-unit" "degree" } "beta" { "source-value" 88.27299317 "source-unit" "degree" } "gamma" { "source-value" 88.19528326 "source-unit" "degree" } }