{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.115789 ] [ 0 0.5 0 ] [ 0.75 0 0.884211 ] [ 0.5 0.5 0 ] [ 0.75 0.5 0.615789 ] [ 0.5 0 0.5 ] [ 0.25 0.5 0.384211 ] [ 0 0 0.5 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.012254 0 0.746703 ] [ 0.75 0.268139 0.004509 ] [ 0.75 0.731861 0.004509 ] [ 0.487746 0 0.746703 ] [ 0.512254 0 0.253297 ] [ 0.25 0.268139 0.995491 ] [ 0.25 0.731861 0.995491 ] [ 0.987746 0 0.253297 ] [ 0.512254 0.5 0.246703 ] [ 0.25 0.768139 0.504509 ] [ 0.25 0.231861 0.504509 ] [ 0.987746 0.5 0.246703 ] [ 0.012254 0.5 0.753297 ] [ 0.75 0.768139 0.495491 ] [ 0.75 0.231861 0.495491 ] [ 0.487746 0.5 0.753297 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "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" 6.00446788 "source-unit" "angstrom" } "b" { "source-value" 6.27981642 "source-unit" "angstrom" } "c" { "source-value" 8.5426482 "source-unit" "angstrom" } }