{ "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" [ [ 0.779892 0.25 0.913855 ] [ 0.261701 0.487852 0.721619 ] [ 0.261701 0.012148 0.721619 ] [ 0.738299 0.987852 0.278381 ] [ 0.738299 0.512148 0.278381 ] [ 0.220108 0.75 0.086145 ] [ 0.776402 0.75 0.66029 ] [ 0.223598 0.25 0.33971 ] [ 0.722806 0.25 0.584363 ] [ 0.277194 0.75 0.415637 ] [ 0.701229 0.75 0.945454 ] [ 0.298771 0.25 0.054546 ] [ 0.926492 0.75 0.892246 ] [ 0.331777 0.25 0.912988 ] [ 0.510267 0.75 0.848853 ] [ 0.796636 0.068032 0.681524 ] [ 0.796636 0.431968 0.681524 ] [ 0.142192 0.75 0.565793 ] [ 0.432518 0.25 0.551108 ] [ 0.567482 0.75 0.448892 ] [ 0.857808 0.25 0.434207 ] [ 0.203364 0.568032 0.318476 ] [ 0.203364 0.931968 0.318476 ] [ 0.489733 0.25 0.151147 ] [ 0.668223 0.75 0.087012 ] [ 0.073508 0.25 0.107754 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "P" "P" "C" "C" "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" 5.32302505 "source-unit" "angstrom" } "b" { "source-value" 6.82034368 "source-unit" "angstrom" } "c" { "source-value" 8.97978347 "source-unit" "angstrom" } "beta" { "source-value" 92.20089299 "source-unit" "degree" } }