{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.760951 0.760951 0 ] [ 0.760951 0.239049 0 ] [ 0.239049 0.239049 0 ] [ 0.239049 0.760951 0 ] [ 0 0.5 0.604639 ] [ 0.5 0 0.395361 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.770908 0 0.257357 ] [ 0 0.5 0.241697 ] [ 0 0.229092 0.742643 ] [ 0 0.770908 0.742643 ] [ 0.229092 0 0.257357 ] [ 0.292027 0.5 0.726372 ] [ 0.5 0.707973 0.273628 ] [ 0.5 0.292027 0.273628 ] [ 0.5 0 0.758303 ] [ 0.707973 0.5 0.726372 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "Fe" "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" 6.69595431 "source-unit" "angstrom" } "c" { "source-value" 4.653897 "source-unit" "angstrom" } }