{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.166748 0.907909 0.126551 ] [ 0.666748 0.592091 0.126551 ] [ 0.166748 0.407909 0.373449 ] [ 0.666748 0.092091 0.373449 ] [ 0.333252 0.907909 0.626551 ] [ 0.833252 0.592091 0.626551 ] [ 0.333252 0.407909 0.873449 ] [ 0.833252 0.092091 0.873449 ] [ 0.794253 0.855928 0.007146 ] [ 0.294253 0.644072 0.007146 ] [ 0.463677 0.917351 0.229548 ] [ 0.963677 0.582649 0.229548 ] [ 0.463677 0.417351 0.270452 ] [ 0.963677 0.082649 0.270452 ] [ 0.294253 0.144072 0.492854 ] [ 0.794253 0.355928 0.492854 ] [ 0.705747 0.855928 0.507146 ] [ 0.205747 0.644072 0.507146 ] [ 0.036323 0.917351 0.729548 ] [ 0.536323 0.582649 0.729548 ] [ 0.036323 0.417351 0.770452 ] [ 0.536323 0.082649 0.770452 ] [ 0.705747 0.355928 0.992854 ] [ 0.205747 0.144072 0.992854 ] ] } "species" { "source-value" [ "W" "W" "W" "W" "W" "W" "W" "W" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.364932 "source-unit" "angstrom" } "b" { "source-value" 5.70539696 "source-unit" "angstrom" } "c" { "source-value" 9.43438276 "source-unit" "angstrom" } }