{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.404584 0.018012 0.25 ] [ 0.613428 0.595416 0.25 ] [ 0.981988 0.386572 0.25 ] [ 0.386572 0.981988 0.75 ] [ 0.595416 0.613428 0.75 ] [ 0.018012 0.404584 0.75 ] [ 0.272606 0.272606 0 ] [ 0 0.727394 0 ] [ 0 0.727394 0.5 ] [ 0.727394 0 0.5 ] [ 0.272606 0.272606 0.5 ] [ 0.727394 0 0 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.963424 ] [ 0.333333 0.666667 0.463424 ] [ 0.333333 0.666667 0.036576 ] [ 0.666667 0.333333 0.536576 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.45325872825 "source-unit" "angstrom" } "c" { "source-value" 7.4303837 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 118.61305694876583 "source-unit" "GPa" "source-std-uncert-value" 1.7745355010547001 } }