{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2e" } "basis-atom-coordinates" { "source-value" [ [ 0.435085 0.797608 0.597401 ] [ 0.435085 0.202392 0.402599 ] [ 0.935085 0.797608 0.902599 ] [ 0.935085 0.202392 0.097401 ] [ 0.935085 0.297608 0.597401 ] [ 0.935085 0.702392 0.402599 ] [ 0.435085 0.297608 0.902599 ] [ 0.435085 0.702392 0.097401 ] [ 0.483641 0 0.5 ] [ 0.983641 0 0 ] [ 0.983641 0.5 0.5 ] [ 0.483641 0.5 0 ] [ 0.489526 0.914425 0.530788 ] [ 0.489526 0.085575 0.469212 ] [ 0.589568 0.77158 0.873936 ] [ 0.589568 0.22842 0.126064 ] [ 0.089568 0.77158 0.626064 ] [ 0.089568 0.22842 0.373936 ] [ 0.989526 0.085575 0.030788 ] [ 0.989526 0.914425 0.969212 ] [ 0.989526 0.414425 0.530788 ] [ 0.989526 0.585575 0.469212 ] [ 0.089568 0.27158 0.873936 ] [ 0.089568 0.72842 0.126064 ] [ 0.589568 0.27158 0.626064 ] [ 0.589568 0.72842 0.373936 ] [ 0.489526 0.585575 0.030788 ] [ 0.489526 0.414425 0.969212 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "C" "C" "C" "C" "N" "N" "N" "N" "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" 4.88863713459 "source-unit" "angstrom" } "b" { "source-value" 14.0096761365 "source-unit" "angstrom" } "c" { "source-value" 5.52074539 "source-unit" "angstrom" } }