{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.230365 0.75 0.009179 ] [ 0.269635 0.25 0.509179 ] [ 0.730365 0.75 0.490821 ] [ 0.769635 0.25 0.990821 ] [ 0.227235 0.25 0.138164 ] [ 0.272765 0.75 0.638164 ] [ 0.727235 0.25 0.361836 ] [ 0.772765 0.75 0.861836 ] [ 0.207381 0.25 0.872426 ] [ 0.292619 0.75 0.372426 ] [ 0.707381 0.25 0.627574 ] [ 0.792619 0.75 0.127574 ] [ 0.077546 0.75 0.221429 ] [ 0.422454 0.25 0.721429 ] [ 0.577546 0.75 0.278571 ] [ 0.922454 0.25 0.778571 ] [ 0.017722 0.25 0.625417 ] [ 0.078116 0.012609 0.906157 ] [ 0.078116 0.487391 0.906157 ] [ 0.120653 0.25 0.78992 ] [ 0.379347 0.75 0.28992 ] [ 0.421884 0.512609 0.406157 ] [ 0.421884 0.987391 0.406157 ] [ 0.482278 0.75 0.125417 ] [ 0.517722 0.25 0.874583 ] [ 0.578116 0.012609 0.593843 ] [ 0.578116 0.487391 0.593843 ] [ 0.620653 0.25 0.71008 ] [ 0.879347 0.75 0.21008 ] [ 0.921884 0.512609 0.093843 ] [ 0.921884 0.987391 0.093843 ] [ 0.982278 0.75 0.374583 ] [ 0.150543 0.75 0.534985 ] [ 0.349457 0.25 0.034985 ] [ 0.650543 0.75 0.965015 ] [ 0.849457 0.25 0.465015 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sn" "Sn" "Sn" "Sn" "P" "P" "P" "P" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.86981588 "source-unit" "angstrom" } "b" { "source-value" 5.32485063 "source-unit" "angstrom" } "c" { "source-value" 19.13870118 "source-unit" "angstrom" } }