{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.749082 0.495234 0.81388 ] [ 0.744474 0.632424 0.416474 ] [ 0.249082 0.504766 0.18612 ] [ 0.744474 0.132424 0.083526 ] [ 0.244474 0.867576 0.916474 ] [ 0.244474 0.367576 0.583526 ] [ 0.749082 0.995234 0.68612 ] [ 0.249082 0.004766 0.31388 ] [ 0.253997 0.782008 0.582936 ] [ 0.753997 0.717992 0.082936 ] [ 0.253997 0.282008 0.917064 ] [ 0.753997 0.217992 0.417064 ] [ 0.502511 0.704358 0.67524 ] [ 0.264731 0.161305 0.076535 ] [ 0.002511 0.295642 0.32476 ] [ 0.264731 0.661305 0.423465 ] [ 0.268601 0.529409 0.938289 ] [ 0.502511 0.204358 0.82476 ] [ 0.510605 0.301059 0.32483 ] [ 0.764731 0.338695 0.576535 ] [ 0.768601 0.970591 0.438289 ] [ 0.010605 0.198941 0.82483 ] [ 0.764731 0.838695 0.923465 ] [ 0.768601 0.470591 0.061711 ] [ 0.010605 0.698941 0.67517 ] [ 0.268601 0.029409 0.561711 ] [ 0.510605 0.801059 0.17517 ] [ 0.002511 0.795642 0.17524 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Zn" "Zn" "Zn" "Zn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.39777329 "source-unit" "angstrom" } "b" { "source-value" 9.04785504 "source-unit" "angstrom" } "c" { "source-value" 12.68145626 "source-unit" "angstrom" } }