{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.33646 0.743042 ] [ 0 0.66354 0.256958 ] [ 0.5 0.16354 0.243042 ] [ 0.5 0.83646 0.756958 ] [ 0 0.344718 0.130187 ] [ 0 0.655282 0.869813 ] [ 0 0.318141 0.362185 ] [ 0 0.681859 0.637815 ] [ 0.5 0.181859 0.862185 ] [ 0.5 0.818141 0.137815 ] [ 0.5 0.155282 0.630187 ] [ 0.5 0.844718 0.369813 ] ] } "species" { "source-value" [ "Li" "Li" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.97299874 "source-unit" "angstrom" } "b" { "source-value" 5.16517638 "source-unit" "angstrom" } "c" { "source-value" 10.72680012 "source-unit" "angstrom" } }