{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.242277 0.75 0.072033 ] [ 0.750786 0.005218 0.24957 ] [ 0.750786 0.494782 0.24957 ] [ 0.249214 0.505218 0.75043 ] [ 0.249214 0.994782 0.75043 ] [ 0.757723 0.25 0.927967 ] [ 0.223012 0.25 0.338336 ] [ 0.776988 0.75 0.661664 ] [ 0.264709 0.25 0.064708 ] [ 0.735291 0.75 0.935292 ] [ 0.292987 0.75 0.416182 ] [ 0.707013 0.25 0.583818 ] [ 0.715655 0.75 0.088677 ] [ 0.028076 0.25 0.141411 ] [ 0.476143 0.25 0.167478 ] [ 0.224632 0.916233 0.324245 ] [ 0.224632 0.583767 0.324245 ] [ 0.583457 0.75 0.451704 ] [ 0.84452 0.25 0.434938 ] [ 0.15548 0.75 0.565062 ] [ 0.416543 0.25 0.548296 ] [ 0.775368 0.416233 0.675755 ] [ 0.775368 0.083767 0.675755 ] [ 0.523857 0.75 0.832522 ] [ 0.971924 0.75 0.858589 ] [ 0.284345 0.25 0.911323 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "B" "B" "S" "S" "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" 5.12741458 "source-unit" "angstrom" } "b" { "source-value" 7.22585921 "source-unit" "angstrom" } "c" { "source-value" 8.76833918 "source-unit" "angstrom" } "beta" { "source-value" 91.09965046 "source-unit" "degree" } }