{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.011082 0 0 ] [ 0.011082 0 0.5 ] [ 0.994593 0.019792 0.75 ] [ 0.994593 0.980208 0.25 ] [ 0.511082 0.5 0 ] [ 0.511082 0.5 0.5 ] [ 0.494593 0.519792 0.75 ] [ 0.494593 0.480208 0.25 ] [ 0.562981 0.783473 0.418059 ] [ 0.562981 0.783473 0.081941 ] [ 0.562981 0.216527 0.918059 ] [ 0.562981 0.216527 0.581941 ] [ 0.062981 0.283473 0.418059 ] [ 0.062981 0.283473 0.081941 ] [ 0.062981 0.716527 0.918059 ] [ 0.062981 0.716527 0.581941 ] [ 0.54854 0.884739 0.860442 ] [ 0.54854 0.884739 0.639558 ] [ 0.54854 0.115261 0.360442 ] [ 0.54854 0.115261 0.139558 ] [ 0.04854 0.384739 0.860442 ] [ 0.04854 0.384739 0.639558 ] [ 0.04854 0.615261 0.360442 ] [ 0.04854 0.615261 0.139558 ] [ 0.226046 0.904158 0.875517 ] [ 0.226046 0.904158 0.624483 ] [ 0.618363 0.811388 0.75 ] [ 0.710078 0.96239 0.131188 ] [ 0.710078 0.96239 0.368812 ] [ 0.677389 0.766391 0.938731 ] [ 0.677389 0.766391 0.561269 ] [ 0.226046 0.095842 0.124483 ] [ 0.226046 0.095842 0.375517 ] [ 0.618363 0.188612 0.25 ] [ 0.710078 0.03761 0.631188 ] [ 0.710078 0.03761 0.868812 ] [ 0.677389 0.233609 0.438731 ] [ 0.677389 0.233609 0.061269 ] [ 0.726046 0.404158 0.875517 ] [ 0.726046 0.404158 0.624483 ] [ 0.118363 0.311388 0.75 ] [ 0.210078 0.46239 0.131188 ] [ 0.210078 0.46239 0.368812 ] [ 0.177389 0.266391 0.938731 ] [ 0.177389 0.266391 0.561269 ] [ 0.726046 0.595842 0.124483 ] [ 0.726046 0.595842 0.375517 ] [ 0.118363 0.688612 0.25 ] [ 0.210078 0.53761 0.631188 ] [ 0.210078 0.53761 0.868812 ] [ 0.177389 0.733609 0.438731 ] [ 0.177389 0.733609 0.061269 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.98825145 "source-unit" "angstrom" } "b" { "source-value" 9.26290062 "source-unit" "angstrom" } "c" { "source-value" 13.41795568 "source-unit" "angstrom" } }