{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.005522 0.75 0.299885 ] [ 0.186264 0.052475 0.128897 ] [ 0.186264 0.447525 0.128897 ] [ 0.494478 0.75 0.799885 ] [ 0.405464 0.75 0.5 ] [ 0.813736 0.552475 0.128897 ] [ 0.813736 0.947525 0.128897 ] [ 0.686264 0.552475 0.371103 ] [ 0.686264 0.947525 0.371103 ] [ 0.094536 0.75 0 ] [ 0.005522 0.75 0.700115 ] [ 0.313736 0.052475 0.371103 ] [ 0.313736 0.447525 0.371103 ] [ 0.494478 0.75 0.200115 ] [ 0.505522 0.25 0.799885 ] [ 0.686264 0.552475 0.628897 ] [ 0.686264 0.947525 0.628897 ] [ 0.994478 0.25 0.299885 ] [ 0.905464 0.25 0 ] [ 0.313736 0.052475 0.628897 ] [ 0.313736 0.447525 0.628897 ] [ 0.186264 0.052475 0.871103 ] [ 0.186264 0.447525 0.871103 ] [ 0.594536 0.25 0.5 ] [ 0.505522 0.25 0.200115 ] [ 0.813736 0.552475 0.871103 ] [ 0.813736 0.947525 0.871103 ] [ 0.994478 0.25 0.700115 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.12570188 "source-unit" "angstrom" } "b" { "source-value" 7.53827561 "source-unit" "angstrom" } "c" { "source-value" 10.75040018 "source-unit" "angstrom" } }