{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.245263 0.017987 0.075642 ] [ 0.245263 0.982013 0.575642 ] [ 0.754737 0.982013 0.924358 ] [ 0.754737 0.017987 0.424358 ] [ 0.745263 0.517987 0.075642 ] [ 0.745263 0.482013 0.575642 ] [ 0.254737 0.482013 0.924358 ] [ 0.254737 0.517987 0.424358 ] [ 0 0.594737 0.25 ] [ 0 0.405263 0.75 ] [ 0 0.814376 0.25 ] [ 0 0.185624 0.75 ] [ 0.5 0.094737 0.25 ] [ 0.5 0.905263 0.75 ] [ 0.5 0.314376 0.25 ] [ 0.5 0.685624 0.75 ] [ 0.360247 0.916532 0.127691 ] [ 0.360247 0.083468 0.627691 ] [ 0.639753 0.083468 0.872309 ] [ 0.639753 0.916532 0.372309 ] [ 0.860247 0.416532 0.127691 ] [ 0.860247 0.583468 0.627691 ] [ 0.139753 0.583468 0.872309 ] [ 0.139753 0.416532 0.372309 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "N" "N" "N" "N" "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" 7.73418593509 "source-unit" "angstrom" } "b" { "source-value" 5.3085359 "source-unit" "angstrom" } "c" { "source-value" 6.74572439455 "source-unit" "angstrom" } "beta" { "source-value" 111.544241056 "source-unit" "degree" } }