{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.5 0 0.416875 ] [ 0 0.5 0.583125 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.212821 ] [ 0.5 0 0.787179 ] [ 0.294456 0.5 0.716616 ] [ 0 0.205544 0.716616 ] [ 0 0.794456 0.716616 ] [ 0.705544 0.5 0.716616 ] [ 0.205544 0 0.283384 ] [ 0.794456 0 0.283384 ] [ 0.5 0.294456 0.283384 ] [ 0.5 0.705544 0.283384 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "Si" "Si" "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" 6.42637429 "source-unit" "angstrom" } "c" { "source-value" 4.54121518 "source-unit" "angstrom" } }