{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.020191 0.25 0.128073 ] [ 0.020191 0.75 0.871927 ] [ 0.520191 0.75 0.628073 ] [ 0.520191 0.25 0.371927 ] [ 0.80502 0.901948 0.35142 ] [ 0.30502 0.901948 0.14858 ] [ 0.590238 0.75 0.0477 ] [ 0.590238 0.25 0.9523 ] [ 0.30502 0.098052 0.85142 ] [ 0.80502 0.098052 0.64858 ] [ 0.402288 0.75 0.117258 ] [ 0.402288 0.25 0.882742 ] [ 0.30502 0.401948 0.85142 ] [ 0.80502 0.401948 0.64858 ] [ 0.090238 0.25 0.5477 ] [ 0.090238 0.75 0.4523 ] [ 0.80502 0.598052 0.35142 ] [ 0.30502 0.598052 0.14858 ] [ 0.902288 0.25 0.617258 ] [ 0.902288 0.75 0.382742 ] [ 0.224865 0.029679 0.174496 ] [ 0.745511 0.25 0.011721 ] [ 0.745511 0.75 0.988279 ] [ 0.224865 0.970321 0.825504 ] [ 0.724865 0.029679 0.325504 ] [ 0.724865 0.970321 0.674496 ] [ 0.724865 0.529679 0.674496 ] [ 0.245511 0.75 0.511721 ] [ 0.245511 0.25 0.488279 ] [ 0.724865 0.470321 0.325504 ] [ 0.224865 0.529679 0.825504 ] [ 0.224865 0.470321 0.174496 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "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" 6.24105346744 "source-unit" "angstrom" } "b" { "source-value" 8.00075702463 "source-unit" "angstrom" } "c" { "source-value" 11.0649655087 "source-unit" "angstrom" } }