{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.342225 0.5 0 ] [ 0.842225 0 0.5 ] [ 0.851815 0.203351 0.160262 ] [ 0.851815 0.203351 0.839738 ] [ 0.851815 0.796649 0.160262 ] [ 0.851815 0.796649 0.839738 ] [ 0.359858 0 0.12698 ] [ 0.359858 0 0.87302 ] [ 0.351815 0.703351 0.660262 ] [ 0.351815 0.703351 0.339738 ] [ 0.351815 0.296649 0.660262 ] [ 0.351815 0.296649 0.339738 ] [ 0.859858 0.5 0.62698 ] [ 0.859858 0.5 0.37302 ] [ 0.784636 0.291767 0 ] [ 0.206442 0.182094 0.197409 ] [ 0.70548 0 0.18395 ] [ 0.206442 0.817906 0.802591 ] [ 0.784636 0.708233 0 ] [ 0.206442 0.817906 0.197409 ] [ 0.206442 0.182094 0.802591 ] [ 0.70548 0 0.81605 ] [ 0.284636 0.791767 0.5 ] [ 0.706442 0.682094 0.697409 ] [ 0.20548 0.5 0.68395 ] [ 0.706442 0.317906 0.302591 ] [ 0.284636 0.208233 0.5 ] [ 0.706442 0.317906 0.697409 ] [ 0.706442 0.682094 0.302591 ] [ 0.20548 0.5 0.31605 ] ] } "species" { "source-value" [ "Sr" "Sr" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 4.84299604117 "source-unit" "angstrom" } "b" { "source-value" 7.93065231292 "source-unit" "angstrom" } "c" { "source-value" 9.34693305127 "source-unit" "angstrom" } }