{ "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" [ [ 0.120972 0.784165 0.829559 ] [ 0.700073 0.202964 0.831819 ] [ 0.333405 0.477941 0.692973 ] [ 0.161531 0.239835 0.840966 ] [ 0.163466 0.499538 0.336211 ] [ 0.505946 0.001322 0.961031 ] [ 0.670599 0.006418 0.330864 ] [ 0.978864 0.528753 0.963926 ] [ 0.359232 0.972378 0.710008 ] [ 0.156362 0.009744 0.332687 ] [ 0.504363 0.532276 0.954457 ] [ 0.833864 0.49642 0.711545 ] [ 0.500089 0.250972 0.497332 ] [ 0.995574 0.755993 0.506701 ] [ 0.323529 0.249685 0.163382 ] [ 0.504923 0.750488 0.490591 ] [ 0.833862 0.74455 0.169781 ] [ 0.992931 0.256131 0.503319 ] [ 0.334677 0.74618 0.168396 ] [ 0.822864 0.251053 0.165747 ] [ 0.310982 0.625768 0.427601 ] [ 0.166357 0.604713 0.103448 ] [ 0.166526 0.390699 0.568836 ] [ 0.494106 0.36528 0.239926 ] [ 0.845806 0.10406 0.428462 ] [ 0.680075 0.87511 0.564485 ] [ 0.66984 0.121111 0.102495 ] [ 0.997984 0.892047 0.243884 ] [ 0.319771 0.131215 0.422365 ] [ 0.163966 0.129192 0.100244 ] [ 0.17478 0.895539 0.563053 ] [ 0.4941 0.895585 0.239588 ] [ 0.85199 0.614711 0.426853 ] [ 0.68521 0.380894 0.563364 ] [ 0.667474 0.601206 0.100879 ] [ 0.003349 0.369332 0.239225 ] [ 0.330824 0.364301 0.923018 ] [ 0.482702 0.151885 0.755889 ] [ 0.834291 0.874468 0.916125 ] [ 0.031679 0.602606 0.755868 ] [ 0.325762 0.876499 0.911883 ] [ 0.493507 0.623243 0.741771 ] [ 0.833189 0.370737 0.911189 ] [ 0.011936 0.132994 0.754923 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.93706857 "source-unit" "angstrom" } "b" { "source-value" 6.03219999 "source-unit" "angstrom" } "c" { "source-value" 15.07458038 "source-unit" "angstrom" } "alpha" { "source-value" 80.25103267 "source-unit" "degree" } "beta" { "source-value" 85.1737558 "source-unit" "degree" } "gamma" { "source-value" 60.75174297 "source-unit" "degree" } }