{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.343167 0.684722 0.902882 ] [ 0.996489 0.9906 0.990835 ] [ 0.991985 0.980138 0.488291 ] [ 0.669653 0.330589 0.403942 ] [ 0.331624 0.641151 0.49645 ] [ 0.662663 0.336231 0.993836 ] [ 0.169671 0.341268 0.215818 ] [ 0.830115 0.170793 0.718025 ] [ 0.338776 0.165169 0.715167 ] [ 0.660659 0.826997 0.211909 ] [ 0.171353 0.83121 0.217269 ] [ 0.830455 0.656842 0.714979 ] [ 0.663713 0.835932 0.589458 ] [ 0.495436 0.95137 0.335029 ] [ 0.349636 0.67156 0.114525 ] [ 0.980868 0.998445 0.29999 ] [ 0.998676 0.000428 0.805348 ] [ 0.170576 0.834882 0.58812 ] [ 0.444914 0.468162 0.35832 ] [ 0.037157 0.531408 0.341698 ] [ 0.822133 0.680738 0.096883 ] [ 0.15983 0.330536 0.598758 ] [ 0.966095 0.494782 0.844194 ] [ 0.522059 0.489489 0.843164 ] [ 0.666501 0.328168 0.60902 ] [ 0.870115 0.218173 0.076431 ] [ 0.519513 0.043185 0.844554 ] [ 0.336469 0.167033 0.092946 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nb" "Nb" "Fe" "Fe" "Fe" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.91860385 "source-unit" "angstrom" } "b" { "source-value" 5.97362073 "source-unit" "angstrom" } "c" { "source-value" 9.78473647 "source-unit" "angstrom" } "alpha" { "source-value" 92.28326661 "source-unit" "degree" } "beta" { "source-value" 89.51809082 "source-unit" "degree" } "gamma" { "source-value" 119.30763881 "source-unit" "degree" } }