{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.5195 0.25 0.223497 ] [ 0.0195 0.75 0.276503 ] [ 0.9805 0.25 0.723497 ] [ 0.4805 0.75 0.776503 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.593268 0.75 0.08282 ] [ 0.093268 0.25 0.41718 ] [ 0.906732 0.75 0.58282 ] [ 0.406732 0.25 0.91718 ] [ 0.252787 0.25 0.06117 ] [ 0.264903 0.75 0.074669 ] [ 0.728898 0.548268 0.142203 ] [ 0.728898 0.951732 0.142203 ] [ 0.228898 0.451732 0.357797 ] [ 0.228898 0.048268 0.357797 ] [ 0.764903 0.25 0.425331 ] [ 0.752787 0.75 0.43883 ] [ 0.247213 0.25 0.56117 ] [ 0.235097 0.75 0.574669 ] [ 0.771102 0.951732 0.642203 ] [ 0.771102 0.548268 0.642203 ] [ 0.271102 0.451732 0.857797 ] [ 0.271102 0.048268 0.857797 ] [ 0.735097 0.25 0.925331 ] [ 0.747213 0.75 0.93883 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "B" "B" "B" "B" "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" 4.38560594 "source-unit" "angstrom" } "b" { "source-value" 6.06722117 "source-unit" "angstrom" } "c" { "source-value" 10.10121556 "source-unit" "angstrom" } }