{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.066136 0.691827 0.25 ] [ 0.566136 0.808173 0.75 ] [ 0.933864 0.308173 0.75 ] [ 0.433864 0.191827 0.25 ] [ 0.253495 0.099454 0.046147 ] [ 0.753495 0.400546 0.953853 ] [ 0.246505 0.599454 0.453853 ] [ 0.746505 0.900546 0.546147 ] [ 0.746505 0.900546 0.953853 ] [ 0.246505 0.599454 0.046147 ] [ 0.753495 0.400546 0.546147 ] [ 0.253495 0.099454 0.453853 ] [ 0.109129 0.75544 0.75 ] [ 0.609129 0.74456 0.25 ] [ 0.390871 0.25544 0.75 ] [ 0.890871 0.24456 0.25 ] [ 0.348827 0.843979 0.937532 ] [ 0.848827 0.656021 0.062468 ] [ 0.651173 0.156021 0.437532 ] [ 0.151173 0.343979 0.562468 ] [ 0.141 0.998329 0.25 ] [ 0.641 0.501671 0.75 ] [ 0.359 0.498329 0.25 ] [ 0.859 0.001671 0.75 ] [ 0.651173 0.156021 0.062468 ] [ 0.151173 0.343979 0.937532 ] [ 0.848827 0.656021 0.437532 ] [ 0.348827 0.843979 0.562468 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "Sb" "Sb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.91620144 "source-unit" "angstrom" } "b" { "source-value" 8.04672596 "source-unit" "angstrom" } "c" { "source-value" 10.58433663 "source-unit" "angstrom" } }