{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.475488 0.336228 0.510754 ] [ 0.975488 0.163772 0.489246 ] [ 0.524512 0.836228 0.989246 ] [ 0.024512 0.663772 0.010754 ] [ 0.473392 0.551038 0.411774 ] [ 0.973392 0.948962 0.588226 ] [ 0.526608 0.051038 0.088226 ] [ 0.026608 0.448962 0.911774 ] [ 0.473706 0.442415 0.64967 ] [ 0.973706 0.057585 0.35033 ] [ 0.526294 0.942415 0.85033 ] [ 0.026294 0.557585 0.14967 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.02708966 "source-unit" "angstrom" } "b" { "source-value" 7.18939575 "source-unit" "angstrom" } "c" { "source-value" 13.79623183 "source-unit" "angstrom" } }