{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P312" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] [ 0.982844 0.288848 0.770333 ] [ 0.306004 0.288848 0.229667 ] [ 0.711152 0.017156 0.229667 ] [ 0.306004 0.017156 0.770333 ] [ 0.711152 0.693996 0.770333 ] [ 0.982844 0.693996 0.229667 ] ] } "species" { "source-value" [ "Li" "V" "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" 4.95996047 "source-unit" "angstrom" } "c" { "source-value" 4.63477396 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 26.846730079350728 "source-unit" "GPa" "source-std-uncert-value" 0.13415542318908535 } }