{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.996407 0.88046 ] [ 0.75 0.49975 0.071395 ] [ 0.25 0.50025 0.928605 ] [ 0.75 0.384939 0.25 ] [ 0.25 0.615061 0.75 ] [ 0.25 0.50025 0.571395 ] [ 0.75 0.003593 0.11954 ] [ 0.25 0.996407 0.61954 ] [ 0.75 0.49975 0.428605 ] [ 0.75 0.003593 0.38046 ] [ 0.75 0.315875 0.821559 ] [ 0.75 0.315875 0.678441 ] [ 0.25 0.028125 0.25 ] [ 0.75 0.971875 0.75 ] [ 0.25 0.684125 0.178441 ] [ 0.25 0.684125 0.321559 ] [ 0.25 0.165948 0.025826 ] [ 0.75 0.834052 0.974174 ] [ 0.75 0.79384 0.25 ] [ 0.25 0.165948 0.474174 ] [ 0.25 0.20616 0.75 ] [ 0.75 0.834052 0.525826 ] [ 0.75 0.71036 0.853862 ] [ 0.75 0.203367 0.538781 ] [ 0.25 0.796633 0.461219 ] [ 0.25 0.28964 0.353862 ] [ 0.25 0.28964 0.146138 ] [ 0.25 0.796633 0.038781 ] [ 0.75 0.203367 0.961219 ] [ 0.75 0.71036 0.646138 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.15839551029 "source-unit" "angstrom" } "b" { "source-value" 6.840574911 "source-unit" "angstrom" } "c" { "source-value" 19.0653603921 "source-unit" "angstrom" } }