{ "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" [ [ 0.834493 0.5 0.167478 ] [ 0.334493 0 0.167478 ] [ 0.153997 0.5 0.365442 ] [ 0.653997 0 0.365442 ] [ 0.012918 0 0.974534 ] [ 0.839028 0.5 0.662839 ] [ 0.512918 0.5 0.974534 ] [ 0.339028 0 0.662839 ] [ 0.006675 0.5 0.204881 ] [ 0.170487 0 0.564353 ] [ 0.855248 0 0.90562 ] [ 0.159961 0 0.124209 ] [ 0.817658 0 0.426358 ] [ 0.001594 0.5 0.766307 ] [ 0.506675 0 0.204881 ] [ 0.670487 0.5 0.564353 ] [ 0.355248 0.5 0.90562 ] [ 0.659961 0.5 0.124209 ] [ 0.317658 0.5 0.426358 ] [ 0.501594 0 0.766307 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "V" "V" "V" "V" "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" 12.65858184 "source-unit" "angstrom" } "b" { "source-value" 3.02459575 "source-unit" "angstrom" } "c" { "source-value" 6.0238686 "source-unit" "angstrom" } "beta" { "source-value" 103.43555305 "source-unit" "degree" } }