{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.837298 0.25 ] [ 0 0.162702 0.75 ] [ 0.5 0.337298 0.25 ] [ 0.5 0.662702 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.145813 0.25 ] [ 0 0.854187 0.75 ] [ 0.5 0.645813 0.25 ] [ 0.5 0.354187 0.75 ] [ 0 0.260065 0.470546 ] [ 0.754241 0.980153 0.75 ] [ 0.245759 0.019847 0.25 ] [ 0 0.739935 0.970546 ] [ 0 0.739935 0.529454 ] [ 0.754241 0.019847 0.25 ] [ 0.245759 0.980153 0.75 ] [ 0 0.260065 0.029454 ] [ 0.5 0.760065 0.470546 ] [ 0.254241 0.480153 0.75 ] [ 0.745759 0.519847 0.25 ] [ 0.5 0.239935 0.970546 ] [ 0.5 0.239935 0.529454 ] [ 0.254241 0.519847 0.25 ] [ 0.745759 0.480153 0.75 ] [ 0.5 0.760065 0.029454 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mg" "Mg" "Mg" "Mg" "V" "V" "V" "V" "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" 5.71390601912 "source-unit" "angstrom" } "b" { "source-value" 8.71432844656 "source-unit" "angstrom" } "c" { "source-value" 6.32333973 "source-unit" "angstrom" } }