{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.490893 0.806609 ] [ 0.75 0.509107 0.193391 ] [ 0.75 0.009107 0.306609 ] [ 0.25 0.990893 0.693391 ] [ 0.25 0.660176 0.412144 ] [ 0.75 0.339824 0.587856 ] [ 0.75 0.839824 0.912144 ] [ 0.25 0.160176 0.087856 ] [ 0.25 0.731458 0.080812 ] [ 0.75 0.268542 0.919188 ] [ 0.75 0.768542 0.580812 ] [ 0.25 0.231458 0.419188 ] [ 0.470627 0.803446 0.154435 ] [ 0.970627 0.196554 0.845565 ] [ 0.970627 0.696554 0.654435 ] [ 0.470627 0.303446 0.345565 ] [ 0.029373 0.303446 0.345565 ] [ 0.529373 0.696554 0.654435 ] [ 0.529373 0.196554 0.845565 ] [ 0.029373 0.803446 0.154435 ] [ 0.25 0.02146 0.419554 ] [ 0.75 0.97854 0.580446 ] [ 0.75 0.47854 0.919554 ] [ 0.25 0.52146 0.080446 ] [ 0.25 0.310901 0.564904 ] [ 0.75 0.689099 0.435096 ] [ 0.75 0.189099 0.064904 ] [ 0.25 0.810901 0.935096 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Be" "Be" "Be" "Be" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.7814496 "source-unit" "angstrom" } "b" { "source-value" 7.40387823 "source-unit" "angstrom" } "c" { "source-value" 10.06651185 "source-unit" "angstrom" } }