{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0 0.623702 ] [ 0.25 0.5 0.876298 ] [ 0.75 0.5 0.123702 ] [ 0.75 0 0.376298 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.236789 0.502865 ] [ 0.000265 0.5 0.753216 ] [ 0.000265 0 0.746784 ] [ 0.75 0.263211 0.002865 ] [ 0.75 0.236789 0.497135 ] [ 0.499735 0.5 0.753216 ] [ 0.499735 0 0.746784 ] [ 0.25 0.263211 0.997135 ] [ 0.75 0.736789 0.002865 ] [ 0.500265 0 0.253216 ] [ 0.500265 0.5 0.246784 ] [ 0.25 0.763211 0.502865 ] [ 0.25 0.736789 0.997135 ] [ 0.999735 0 0.253216 ] [ 0.999735 0.5 0.246784 ] [ 0.75 0.763211 0.497135 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Co" "Co" "Co" "Co" "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" 5.87270987 "source-unit" "angstrom" } "b" { "source-value" 5.93893825 "source-unit" "angstrom" } "c" { "source-value" 8.3710452 "source-unit" "angstrom" } }