{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pca2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.518233 0.371016 0.223886 ] [ 0.518233 0.871016 0.276114 ] [ 0.481767 0.371016 0.723886 ] [ 0.481767 0.871016 0.776114 ] [ 0.047562 0.993634 0.056347 ] [ 0.952438 0.493634 0.943653 ] [ 0.047562 0.493634 0.443653 ] [ 0.952438 0.993634 0.556347 ] [ 0.030388 0.73591 0.976734 ] [ 0.198211 0.986946 0.217332 ] [ 0.198211 0.486946 0.282668 ] [ 0.030388 0.23591 0.523266 ] [ 0.969612 0.73591 0.476734 ] [ 0.801789 0.986946 0.717332 ] [ 0.801789 0.486946 0.782668 ] [ 0.969612 0.23591 0.023266 ] [ 0.683414 0.511985 0.076837 ] [ 0.722392 0.937109 0.115235 ] [ 0.683414 0.011985 0.423163 ] [ 0.722392 0.437109 0.384765 ] [ 0.316586 0.511985 0.576837 ] [ 0.277608 0.937109 0.615235 ] [ 0.277608 0.437109 0.884765 ] [ 0.316586 0.011985 0.923163 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.42495396 "source-unit" "angstrom" } "b" { "source-value" 6.87430077 "source-unit" "angstrom" } "c" { "source-value" 8.94007327 "source-unit" "angstrom" } }