{ "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" [ [ 0.495882 0.833998 0.164952 ] [ 0.504118 0.166002 0.835048 ] [ 0.001817 0.666011 0.33492 ] [ 0.998183 0.333989 0.66508 ] [ 0.00142 0.830027 0.673875 ] [ 0 0.5 0 ] [ 0.99858 0.169973 0.326125 ] [ 0.495886 0.669186 0.832812 ] [ 0.504114 0.330814 0.167188 ] [ 0.5 0 0.5 ] [ 0.74986 0.817038 0.90313 ] [ 0.258744 0.9841 0.732446 ] [ 0.751857 0.690386 0.597501 ] [ 0.734923 0.361756 0.924631 ] [ 0.225072 0.868808 0.421686 ] [ 0.229371 0.527106 0.754725 ] [ 0.770629 0.472894 0.245275 ] [ 0.774928 0.131192 0.578314 ] [ 0.265077 0.638244 0.075369 ] [ 0.248143 0.309614 0.402499 ] [ 0.741256 0.0159 0.267554 ] [ 0.25014 0.182962 0.09687 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "Cr" "Cr" "Cr" "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" 5.17530648 "source-unit" "angstrom" } "b" { "source-value" 6.00323645 "source-unit" "angstrom" } "c" { "source-value" 7.87745498 "source-unit" "angstrom" } "alpha" { "source-value" 78.17311601 "source-unit" "degree" } "beta" { "source-value" 77.91699348 "source-unit" "degree" } "gamma" { "source-value" 72.8917905 "source-unit" "degree" } }