{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.327145 ] [ 0 0.25 0.827145 ] [ 0 0.75 0.172855 ] [ 0.5 0.75 0.672855 ] [ 0.5 0.25 0.066168 ] [ 0 0.25 0.566168 ] [ 0 0.75 0.433832 ] [ 0.5 0.75 0.933832 ] [ 0.269685 0.068873 0.191892 ] [ 0.255811 0.580721 0.062656 ] [ 0.769685 0.431127 0.691892 ] [ 0.730315 0.431127 0.191892 ] [ 0.755811 0.919279 0.562656 ] [ 0.744189 0.919279 0.062656 ] [ 0.755811 0.419279 0.437344 ] [ 0.769685 0.931127 0.308108 ] [ 0.230315 0.068873 0.691892 ] [ 0.244189 0.580721 0.562656 ] [ 0.255811 0.080721 0.937344 ] [ 0.244189 0.080721 0.437344 ] [ 0.269685 0.568873 0.808108 ] [ 0.230315 0.568873 0.308108 ] [ 0.744189 0.419279 0.937344 ] [ 0.730315 0.931127 0.808108 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.58130114 "source-unit" "angstrom" } "b" { "source-value" 4.99693674 "source-unit" "angstrom" } "c" { "source-value" 11.91266957 "source-unit" "angstrom" } }