{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.990479 0.828362 ] [ 0.25 0.009521 0.171638 ] [ 0.75 0.490479 0.671638 ] [ 0.25 0.509521 0.328362 ] [ 0.75 0.979146 0.587424 ] [ 0.25 0.020854 0.412576 ] [ 0.75 0.479146 0.912576 ] [ 0.25 0.520854 0.087424 ] [ 0.75 0.854463 0.309815 ] [ 0.25 0.145537 0.690185 ] [ 0.75 0.354463 0.190185 ] [ 0.25 0.645537 0.809815 ] [ 0.75 0.803904 0.037014 ] [ 0.25 0.196096 0.962986 ] [ 0.75 0.303904 0.462986 ] [ 0.25 0.696096 0.537014 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.53981811 "source-unit" "angstrom" } "b" { "source-value" 5.64043296 "source-unit" "angstrom" } "c" { "source-value" 12.59803997 "source-unit" "angstrom" } }