{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.659843 0 0.000364 ] [ 0.340157 0 0.500364 ] [ 0.159843 0.5 0.000364 ] [ 0.840157 0.5 0.500364 ] [ 0.163066 0.834148 0.013121 ] [ 0.836934 0.165852 0.513121 ] [ 0.836934 0.834148 0.513121 ] [ 0.163066 0.165852 0.013121 ] [ 0.663066 0.334148 0.013121 ] [ 0.336934 0.665852 0.513121 ] [ 0.336934 0.334148 0.513121 ] [ 0.663066 0.665852 0.013121 ] [ 0.139187 0.801478 0.374461 ] [ 0.860813 0.198522 0.874461 ] [ 0.273692 0 0.934752 ] [ 0.726308 0 0.434752 ] [ 0.139187 0.198522 0.374461 ] [ 0.860813 0.801478 0.874461 ] [ 0.639187 0.301478 0.374461 ] [ 0.360813 0.698522 0.874461 ] [ 0.773692 0.5 0.934752 ] [ 0.226308 0.5 0.434752 ] [ 0.639187 0.698522 0.374461 ] [ 0.360813 0.301478 0.874461 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.33093962397 "source-unit" "angstrom" } "b" { "source-value" 9.27665650551 "source-unit" "angstrom" } "c" { "source-value" 4.81440275 "source-unit" "angstrom" } }