{ "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" [ [ 0.25 0 0.629962 ] [ 0.75 0 0.370038 ] [ 0.75 0.5 0.129962 ] [ 0.25 0.5 0.870038 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.009634 0 0.212922 ] [ 0.490366 0 0.212922 ] [ 0.75 0.29312 0.503271 ] [ 0.25 0.29312 0.496729 ] [ 0.25 0.70688 0.496729 ] [ 0.75 0.70688 0.503271 ] [ 0.990366 0 0.787078 ] [ 0.509634 0 0.787078 ] [ 0.509634 0.5 0.712922 ] [ 0.990366 0.5 0.712922 ] [ 0.25 0.79312 0.003271 ] [ 0.75 0.79312 0.996729 ] [ 0.75 0.20688 0.996729 ] [ 0.25 0.20688 0.003271 ] [ 0.490366 0.5 0.287078 ] [ 0.009634 0.5 0.287078 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "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" 5.51519878 "source-unit" "angstrom" } "b" { "source-value" 5.90145281 "source-unit" "angstrom" } "c" { "source-value" 8.45141868 "source-unit" "angstrom" } }