{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.004313 0.66872 0.248724 ] [ 0.504313 0.33128 0.251276 ] [ 0.004313 0.66872 0.751276 ] [ 0.504313 0.33128 0.748724 ] [ 0.013615 0.180752 0 ] [ 0.513615 0.819248 0.5 ] [ 0.498634 0.841149 0 ] [ 0.998634 0.158851 0.5 ] [ 0.166059 0.834693 0 ] [ 0.603323 0.136161 0 ] [ 0.104951 0.307907 0.284432 ] [ 0.604951 0.692093 0.215568 ] [ 0.103323 0.863839 0.5 ] [ 0.666059 0.165307 0.5 ] [ 0.604951 0.692093 0.784432 ] [ 0.104951 0.307907 0.715568 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Si" "Si" "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" 4.97345864 "source-unit" "angstrom" } "b" { "source-value" 5.32572622 "source-unit" "angstrom" } "c" { "source-value" 6.27267495 "source-unit" "angstrom" } }