{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.159501 0.915579 ] [ 0.25 0.5 0.2343 ] [ 0.25 0.5 0 ] [ 0 0.159501 0.08442 ] [ 0.5 0.840499 0.08442 ] [ 0.75 0.5 0.7657 ] [ 0.25 0.5 0.7657 ] [ 0.75 0.5 0.2343 ] [ 0 0.840499 0.915579 ] [ 0.75 0.5 0 ] [ 0 0.659501 0.415579 ] [ 0.75 0 0.7343 ] [ 0.75 0 0.5 ] [ 0.5 0.659501 0.584421 ] [ 0 0.340499 0.584421 ] [ 0.25 0 0.2657 ] [ 0.75 0 0.2657 ] [ 0.25 0 0.7343 ] [ 0.5 0.340499 0.415579 ] [ 0.25 0 0.5 ] [ 0.5 0.234216 0.123032 ] [ 0 0.234216 0.876968 ] [ 0 0.765784 0.123032 ] [ 0.5 0.765784 0.876968 ] [ 0 0.734216 0.623032 ] [ 0.5 0.734216 0.376968 ] [ 0.5 0.265784 0.623032 ] [ 0 0.265784 0.376968 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.236641397 "source-unit" "angstrom" } "b" { "source-value" 7.45565547589 "source-unit" "angstrom" } "c" { "source-value" 14.3950844496 "source-unit" "angstrom" } }