{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmab" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.906484 0.751492 ] [ 0.25 0.093516 0.248508 ] [ 0.75 0.406484 0.248508 ] [ 0.25 0.593516 0.751492 ] [ 0.75 0.516791 0.891504 ] [ 0.25 0.483209 0.108496 ] [ 0.75 0.016791 0.108496 ] [ 0.25 0.983209 0.891504 ] [ 0 0.75 0.389868 ] [ 0.5 0.25 0.610132 ] [ 0 0.25 0.610132 ] [ 0.5 0.75 0.389868 ] [ 0.75 0.549062 0.585594 ] [ 0.25 0.450938 0.414406 ] [ 0.75 0.049062 0.414406 ] [ 0.25 0.950938 0.585594 ] [ 0 0.75 0.056394 ] [ 0.5 0.25 0.943606 ] [ 0 0.25 0.943606 ] [ 0.5 0.75 0.056394 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.02075628 "source-unit" "angstrom" } "b" { "source-value" 7.03193978 "source-unit" "angstrom" } "c" { "source-value" 7.43059543 "source-unit" "angstrom" } }