{ "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" [ [ 0.008677 0.75 0.954917 ] [ 0.991323 0.25 0.045083 ] [ 0.922797 0.25 0.564295 ] [ 0.545756 0.942122 0.318647 ] [ 0.454244 0.442122 0.681353 ] [ 0.077203 0.75 0.435705 ] [ 0.454244 0.057878 0.681353 ] [ 0.545756 0.557878 0.318647 ] [ 0.869524 0.60521 0.284316 ] [ 0.130476 0.10521 0.715684 ] [ 0.130476 0.39479 0.715684 ] [ 0.869524 0.89479 0.284316 ] [ 0.593206 0.553453 0.836766 ] [ 0.406794 0.053453 0.163234 ] [ 0.406794 0.446547 0.163234 ] [ 0.593206 0.946547 0.836766 ] [ 0.924463 0.75 0.597704 ] [ 0.075537 0.25 0.402296 ] [ 0.398908 0.75 0.247354 ] [ 0.601092 0.25 0.752646 ] [ 0.328417 0.590212 0.49778 ] [ 0.671583 0.409788 0.50222 ] [ 0.671583 0.090212 0.50222 ] [ 0.328417 0.909788 0.49778 ] ] } "species" { "source-value" [ "K" "K" "V" "V" "V" "V" "V" "V" "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" 5.13650854476 "source-unit" "angstrom" } "b" { "source-value" 8.75807135 "source-unit" "angstrom" } "c" { "source-value" 7.95422217362 "source-unit" "angstrom" } "beta" { "source-value" 100.589197991 "source-unit" "degree" } }