{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.577036 0.726238 0.705608 ] [ 0.422964 0.273762 0.294392 ] [ 0.422964 0.226238 0.794392 ] [ 0.577036 0.773762 0.205608 ] [ 0.73344 0.777453 0.970965 ] [ 0.26656 0.277453 0.529035 ] [ 0.26656 0.222547 0.029035 ] [ 0.73344 0.722547 0.470965 ] [ 0.19739 0.753376 0.659008 ] [ 0.322097 0.784397 0.382675 ] [ 0.677903 0.284397 0.117325 ] [ 0.80261 0.253376 0.840992 ] [ 0.677903 0.215603 0.617325 ] [ 0.19739 0.746624 0.159008 ] [ 0.80261 0.246624 0.340992 ] [ 0.322097 0.715603 0.882675 ] [ 0.350191 0.422142 0.893251 ] [ 0.822485 0.22361 0.232903 ] [ 0.822485 0.27639 0.732903 ] [ 0.720091 0.981295 0.834684 ] [ 0.324191 0.964247 0.66536 ] [ 0.02976 0.726505 0.070519 ] [ 0.324191 0.535753 0.16536 ] [ 0.473484 0.86404 0.884456 ] [ 0.738098 0.169931 0.040896 ] [ 0.675809 0.035753 0.33464 ] [ 0.279909 0.018705 0.165316 ] [ 0.526516 0.36404 0.615544 ] [ 0.97024 0.226505 0.429481 ] [ 0.738098 0.330069 0.540896 ] [ 0.279909 0.481295 0.665316 ] [ 0.473484 0.63596 0.384456 ] [ 0.649809 0.922142 0.606749 ] [ 0.02976 0.773495 0.570519 ] [ 0.261902 0.830069 0.959104 ] [ 0.720091 0.518705 0.334684 ] [ 0.675809 0.464247 0.83464 ] [ 0.261902 0.669931 0.459104 ] [ 0.97024 0.273495 0.929481 ] [ 0.649809 0.577858 0.106749 ] [ 0.177515 0.77639 0.767097 ] [ 0.177515 0.72361 0.267097 ] [ 0.350191 0.077858 0.393251 ] [ 0.526516 0.13596 0.115544 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.02909022 "source-unit" "angstrom" } "b" { "source-value" 5.13875504 "source-unit" "angstrom" } "c" { "source-value" 14.24903803 "source-unit" "angstrom" } "beta" { "source-value" 115.83358768 "source-unit" "degree" } }