{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P22_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.055719 0.57006 0.109723 ] [ 0.442973 0.755163 0.443161 ] [ 0.944281 0.92994 0.609723 ] [ 0.557027 0.744837 0.943161 ] [ 0.489127 0.09822 0.833716 ] [ 0.557027 0.255163 0.056839 ] [ 0.055719 0.42994 0.890277 ] [ 0.442973 0.244837 0.556839 ] [ 0.944281 0.07006 0.390277 ] [ 0.489127 0.90178 0.166284 ] [ 0.510873 0.59822 0.666284 ] [ 0.510873 0.40178 0.333716 ] [ 0.978878 0.5 0.5 ] [ 0.021122 0 0 ] [ 0.819461 0.725663 0.280757 ] [ 0.180539 0.225663 0.219243 ] [ 0.180539 0.774337 0.780757 ] [ 0.819461 0.274337 0.719243 ] [ 0.974919 0.667424 0.5551 ] [ 0.969338 0.171702 0.691705 ] [ 0.642472 0.368556 0.748573 ] [ 0.025081 0.832576 0.0551 ] [ 0.025081 0.167424 0.9449 ] [ 0.357528 0.131444 0.248573 ] [ 0.357528 0.868556 0.751427 ] [ 0.969338 0.828298 0.308295 ] [ 0.030662 0.328298 0.191705 ] [ 0.642472 0.631444 0.251427 ] [ 0.564083 0.5 0 ] [ 0.030662 0.671702 0.808295 ] [ 0.974919 0.332576 0.4449 ] [ 0.435917 0 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "C" "C" "C" "C" "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" 3.85971511 "source-unit" "angstrom" } "b" { "source-value" 9.96513218 "source-unit" "angstrom" } "c" { "source-value" 14.87956997 "source-unit" "angstrom" } }