{ "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 0.743766 0.823586 ] [ 0 0.256234 0.176414 ] [ 0.5 0.743766 0.176414 ] [ 0.5 0.256234 0.823586 ] [ 0.5 0.243766 0.323586 ] [ 0.5 0.756234 0.676414 ] [ 0 0.243766 0.676414 ] [ 0 0.756234 0.323586 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.25 0 0.5 ] [ 0.75 0 0.5 ] [ 0.25 0 0 ] [ 0.75 0 0 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0.5 ] [ 0 0.802869 0.091195 ] [ 0.5 0.197131 0.091195 ] [ 0.5 0.802869 0.908805 ] [ 0 0.197131 0.908805 ] [ 0.5 0.302869 0.591195 ] [ 0 0.697131 0.591195 ] [ 0 0.302869 0.408805 ] [ 0.5 0.697131 0.408805 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.31799723 "source-unit" "angstrom" } "b" { "source-value" 6.66650571 "source-unit" "angstrom" } "c" { "source-value" 14.70097195 "source-unit" "angstrom" } }