{ "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" [ [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.005025 0.244918 0.739432 ] [ 0.462296 0.2503 0.261696 ] [ 0.999013 0.751558 0.747874 ] [ 0.499616 0.748503 0.247948 ] [ 0.500384 0.251497 0.752052 ] [ 0.000987 0.248442 0.252126 ] [ 0.537704 0.7497 0.738304 ] [ 0.994975 0.755082 0.260568 ] ] } "species" { "source-value" [ "Li" "Ti" "Ti" "Ti" "Ti" "V" "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" 5.87483353 "source-unit" "angstrom" } "b" { "source-value" 5.90520867 "source-unit" "angstrom" } "c" { "source-value" 5.90472647 "source-unit" "angstrom" } "alpha" { "source-value" 119.68923419 "source-unit" "degree" } "beta" { "source-value" 91.01355137 "source-unit" "degree" } "gamma" { "source-value" 118.93145134 "source-unit" "degree" } }