{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.942494 0 0.649151 ] [ 0.055838 0 0.353098 ] [ 0.442494 0.5 0.649151 ] [ 0.555838 0.5 0.353098 ] [ 0.110673 0.5 0.71965 ] [ 0.890884 0.5 0.281336 ] [ 0.211261 0.5 0.309818 ] [ 0.610673 0 0.71965 ] [ 0.390884 0 0.281336 ] [ 0.711261 0 0.309818 ] [ 0.78813 0.5 0.690202 ] [ 0.28813 0 0.690202 ] [ 0.881434 0 0.321324 ] [ 0.767383 0 0.654175 ] [ 0.149099 0.5 0.992529 ] [ 0.059253 0.5 0.359871 ] [ 0.940546 0.5 0.634036 ] [ 0.85039 0.5 0.006159 ] [ 0.23207 0 0.350288 ] [ 0.120544 0 0.678358 ] [ 0.381434 0.5 0.321324 ] [ 0.267383 0.5 0.654175 ] [ 0.649099 0 0.992529 ] [ 0.559253 0 0.359871 ] [ 0.440546 0 0.634036 ] [ 0.35039 0 0.006159 ] [ 0.73207 0.5 0.350288 ] [ 0.620544 0.5 0.678358 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "Cr" "Cr" "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" 12.20817148 "source-unit" "angstrom" } "b" { "source-value" 4.03161361 "source-unit" "angstrom" } "c" { "source-value" 6.49447544 "source-unit" "angstrom" } "beta" { "source-value" 107.26804432 "source-unit" "degree" } }