{ "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" [ [ 0.344146 0.838351 0.770218 ] [ 0.344146 0.161649 0.770218 ] [ 0.655854 0.838351 0.270218 ] [ 0.655854 0.161649 0.270218 ] [ 0.844146 0.338351 0.770218 ] [ 0.844146 0.661649 0.770218 ] [ 0.155854 0.338351 0.270218 ] [ 0.155854 0.661649 0.270218 ] [ 0.024437 0 0.414194 ] [ 0.975563 0 0.914194 ] [ 0.524437 0.5 0.414194 ] [ 0.475563 0.5 0.914194 ] [ 0.202932 0 0.685127 ] [ 0.797068 0 0.185127 ] [ 0.702932 0.5 0.685127 ] [ 0.297068 0.5 0.185127 ] [ 0.297231 0.840781 0.167222 ] [ 0.297231 0.159219 0.167222 ] [ 0.702769 0.159219 0.667222 ] [ 0.702769 0.840781 0.667222 ] [ 0.797231 0.340781 0.167222 ] [ 0.797231 0.659219 0.167222 ] [ 0.202769 0.659219 0.667222 ] [ 0.202769 0.340781 0.667222 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "S" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.68244062411 "source-unit" "angstrom" } "b" { "source-value" 14.1237349337 "source-unit" "angstrom" } "c" { "source-value" 7.31767908 "source-unit" "angstrom" } }