{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.697935 0.498261 0.836391 ] [ 0.197935 0.501739 0.663609 ] [ 0.302065 0.998261 0.163609 ] [ 0.802065 0.001739 0.336391 ] [ 0.302065 0.501739 0.163609 ] [ 0.802065 0.498261 0.336391 ] [ 0.697935 0.001739 0.836391 ] [ 0.197935 0.998261 0.663609 ] [ 0.796879 0.25 0.574705 ] [ 0.296879 0.75 0.925295 ] [ 0.203121 0.75 0.425295 ] [ 0.703121 0.25 0.074705 ] [ 0.693671 0.75 0.588816 ] [ 0.806329 0.75 0.088816 ] [ 0.306329 0.25 0.411184 ] [ 0.193671 0.25 0.911184 ] [ 0.618304 0.25 0.410357 ] [ 0.796327 0.956186 0.658649 ] [ 0.118304 0.75 0.089643 ] [ 0.381696 0.75 0.589643 ] [ 0.796327 0.543814 0.658649 ] [ 0.296327 0.043814 0.841351 ] [ 0.203673 0.456186 0.341351 ] [ 0.703673 0.543814 0.158649 ] [ 0.203673 0.043814 0.341351 ] [ 0.703673 0.956186 0.158649 ] [ 0.797238 0.75 0.450682 ] [ 0.296327 0.456186 0.841351 ] [ 0.702762 0.75 0.950682 ] [ 0.202762 0.25 0.549318 ] [ 0.297238 0.25 0.049318 ] [ 0.881696 0.25 0.910357 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "P" "P" "P" "P" "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" 5.00111902 "source-unit" "angstrom" } "b" { "source-value" 6.1767714 "source-unit" "angstrom" } "c" { "source-value" 10.61503437 "source-unit" "angstrom" } }