{ "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 0.989328 0.291634 ] [ 0.25 0.010672 0.708366 ] [ 0.75 0.489328 0.208366 ] [ 0.25 0.510672 0.791634 ] [ 0.75 0.708766 0.583883 ] [ 0.25 0.291234 0.416117 ] [ 0.75 0.208766 0.916117 ] [ 0.25 0.791234 0.083883 ] [ 0.75 0.80177 0.912923 ] [ 0.25 0.19823 0.087077 ] [ 0.75 0.30177 0.587077 ] [ 0.25 0.69823 0.412923 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.36737427 "source-unit" "angstrom" } "b" { "source-value" 6.66807908 "source-unit" "angstrom" } "c" { "source-value" 7.53292452 "source-unit" "angstrom" } }