{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.475079 0.975079 0.524921 ] [ 0.024921 0.024921 0.024921 ] [ 0.524921 0.475079 0.975079 ] [ 0.975079 0.524921 0.475079 ] [ 0.975079 0.475079 0.024921 ] [ 0.524921 0.524921 0.524921 ] [ 0.024921 0.975079 0.475079 ] [ 0.475079 0.024921 0.975079 ] [ 0.764456 0.235544 0.735544 ] [ 0.235544 0.735544 0.764456 ] [ 0.764456 0.764456 0.764456 ] [ 0.735544 0.764456 0.235544 ] [ 0.264456 0.735544 0.235544 ] [ 0.735544 0.235544 0.264456 ] [ 0.264456 0.264456 0.264456 ] [ 0.235544 0.264456 0.735544 ] [ 0.5 0.75 0.797443 ] [ 0 0.75 0.202557 ] [ 0.202557 0 0.75 ] [ 0.75 0.797443 0.5 ] [ 0.797443 0.5 0.75 ] [ 0.75 0.202557 0 ] [ 0 0.25 0.297443 ] [ 0.5 0.25 0.702557 ] [ 0.702557 0.5 0.25 ] [ 0.25 0.297443 0 ] [ 0.297443 0 0.25 ] [ 0.25 0.702557 0.5 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "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" 7.86045492 "source-unit" "angstrom" } }