{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.047286 0.24974 0.906514 ] [ 0.952714 0.74974 0.093486 ] [ 0.547286 0.74974 0.593486 ] [ 0.452714 0.24974 0.406514 ] [ 0.120501 0.313109 0.587222 ] [ 0.379499 0.313109 0.087222 ] [ 0.879499 0.813109 0.412778 ] [ 0.623207 0.077198 0.085247 ] [ 0.123207 0.577198 0.414753 ] [ 0.91359 0.319289 0.398835 ] [ 0.58641 0.319289 0.898835 ] [ 0.08641 0.819289 0.601165 ] [ 0.876793 0.077198 0.585247 ] [ 0.395509 0.056582 0.912354 ] [ 0.376793 0.577198 0.914753 ] [ 0.895509 0.556582 0.587646 ] [ 0.104491 0.056582 0.412354 ] [ 0.604491 0.556582 0.087646 ] [ 0.620501 0.813109 0.912778 ] [ 0.41359 0.819289 0.101165 ] [ 0.099758 0.829756 0.264901 ] [ 0.31605 0.29845 0.798758 ] [ 0.311891 0.788903 0.470811 ] [ 0.869952 0.087327 0.275273 ] [ 0.348937 0.458013 0.518154 ] [ 0.317661 0.110182 0.551954 ] [ 0.599758 0.329756 0.235099 ] [ 0.81605 0.79845 0.701242 ] [ 0.573818 0.53691 0.750604 ] [ 0.188109 0.788903 0.970811 ] [ 0.182339 0.110182 0.051954 ] [ 0.130048 0.587327 0.724727 ] [ 0.817661 0.610182 0.948046 ] [ 0.151063 0.458013 0.018154 ] [ 0.400242 0.829756 0.764901 ] [ 0.18395 0.29845 0.298758 ] [ 0.369952 0.587327 0.224727 ] [ 0.630048 0.087327 0.775273 ] [ 0.848937 0.958013 0.981846 ] [ 0.926182 0.53691 0.250604 ] [ 0.682339 0.610182 0.448046 ] [ 0.651063 0.958013 0.481846 ] [ 0.688109 0.288903 0.529189 ] [ 0.426182 0.03691 0.249396 ] [ 0.68395 0.79845 0.201242 ] [ 0.900242 0.329756 0.735099 ] [ 0.811891 0.288903 0.029189 ] [ 0.073818 0.03691 0.749396 ] [ 0.003421 0.191264 0.497192 ] [ 0.987089 0.942511 0.503607 ] [ 0.996579 0.691264 0.502808 ] [ 0.512911 0.942511 0.003607 ] [ 0.487089 0.442511 0.996393 ] [ 0.496579 0.191264 0.997192 ] [ 0.012911 0.442511 0.496393 ] [ 0.503421 0.691264 0.002808 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "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" 11.1800269764 "source-unit" "angstrom" } "b" { "source-value" 11.9258139045 "source-unit" "angstrom" } "c" { "source-value" 14.3305501887 "source-unit" "angstrom" } }