{ "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" [ [ 0.75 0.761513 0.330155 ] [ 0.25 0.238487 0.669845 ] [ 0.75 0.261513 0.169845 ] [ 0.25 0.738487 0.830155 ] [ 0.25 0.580815 0.096449 ] [ 0.75 0.419185 0.903551 ] [ 0.25 0.080815 0.403551 ] [ 0.75 0.919185 0.596449 ] [ 0.75 0.44151 0.390169 ] [ 0.25 0.55849 0.609831 ] [ 0.75 0.94151 0.109831 ] [ 0.25 0.05849 0.890169 ] [ 0.25 0.97222 0.71578 ] [ 0.75 0.02778 0.28422 ] [ 0.25 0.47222 0.78422 ] [ 0.75 0.52778 0.21578 ] [ 0.25 0.873768 0.471789 ] [ 0.75 0.126232 0.528211 ] [ 0.25 0.373768 0.028211 ] [ 0.75 0.626232 0.971789 ] [ 0.25 0.79557 0.158747 ] [ 0.75 0.20443 0.841253 ] [ 0.25 0.29557 0.341253 ] [ 0.75 0.70443 0.658747 ] [ 0.75 0.910222 0.92434 ] [ 0.25 0.089778 0.07566 ] [ 0.75 0.410222 0.57566 ] [ 0.25 0.589778 0.42434 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.46315971 "source-unit" "angstrom" } "b" { "source-value" 13.77075614 "source-unit" "angstrom" } "c" { "source-value" 16.22346901 "source-unit" "angstrom" } }