{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.266986 ] [ 0.5 0.75 0.733014 ] [ 0 0.75 0.233014 ] [ 0 0.25 0.766986 ] [ 0.5 0.25 0.612529 ] [ 0.5 0.75 0.387471 ] [ 0 0.25 0.112529 ] [ 0 0.75 0.887471 ] [ 0.5 0.75 0.110471 ] [ 0.5 0.25 0.889529 ] [ 0 0.75 0.610471 ] [ 0 0.25 0.389529 ] [ 0.249148 0.585153 0.042916 ] [ 0.250852 0.585153 0.542916 ] [ 0.676164 0.547148 0.202475 ] [ 0.676164 0.047148 0.797525 ] [ 0.823836 0.047148 0.297525 ] [ 0.323836 0.452852 0.797525 ] [ 0.323836 0.952852 0.202475 ] [ 0.749148 0.914847 0.542916 ] [ 0.823836 0.547148 0.702475 ] [ 0.250852 0.085153 0.457084 ] [ 0.249148 0.085153 0.957084 ] [ 0.176164 0.952852 0.702475 ] [ 0.750852 0.914847 0.042916 ] [ 0.750852 0.414847 0.957084 ] [ 0.749148 0.414847 0.457084 ] [ 0.176164 0.452852 0.297525 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nd" "Nd" "Nd" "Nd" "Ge" "Ge" "Ge" "Ge" "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" 5.15458197 "source-unit" "angstrom" } "b" { "source-value" 5.45643529 "source-unit" "angstrom" } "c" { "source-value" 12.04876572 "source-unit" "angstrom" } }