{ "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 0 0 ] [ 0.002103 0.749035 0.751046 ] [ 0.00183 0.874964 0.374135 ] [ 0.001639 0.375607 0.870689 ] [ 0 0.5 0.5 ] [ 0.998361 0.624393 0.129311 ] [ 0.99817 0.125036 0.625865 ] [ 0.997897 0.250965 0.248954 ] [ 0.499987 0.685293 0.938248 ] [ 0.499969 0.808405 0.562061 ] [ 0.49965 0.935492 0.188562 ] [ 0.50035 0.064508 0.811438 ] [ 0.500031 0.191595 0.437939 ] [ 0.500013 0.314707 0.061752 ] [ 0.499922 0.438239 0.685995 ] [ 0.500078 0.561761 0.314005 ] [ 0.727366 0.848207 0.969476 ] [ 0.27291 0.901022 0.780286 ] [ 0.727458 0.972873 0.593858 ] [ 0.275833 0.524948 0.899759 ] [ 0.722761 0.594212 0.719562 ] [ 0.72301 0.718952 0.344578 ] [ 0.281384 0.643187 0.528645 ] [ 0.723984 0.229117 0.840676 ] [ 0.718616 0.356813 0.471355 ] [ 0.276016 0.770883 0.159324 ] [ 0.27699 0.281048 0.655422 ] [ 0.724167 0.475052 0.100241 ] [ 0.277239 0.405788 0.280438 ] [ 0.72709 0.098978 0.219714 ] [ 0.272542 0.027127 0.406142 ] [ 0.272634 0.151793 0.030524 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Co" "Co" "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" 5.10410057 "source-unit" "angstrom" } "b" { "source-value" 7.73938775 "source-unit" "angstrom" } "c" { "source-value" 7.75831134 "source-unit" "angstrom" } "alpha" { "source-value" 81.85878845 "source-unit" "degree" } "beta" { "source-value" 83.81208336 "source-unit" "degree" } "gamma" { "source-value" 71.00916744 "source-unit" "degree" } }