{ "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" [ [ 0.76195 0.003516 0.796538 ] [ 0.26195 0.496484 0.296538 ] [ 0.26195 0.996484 0.203462 ] [ 0.76195 0.503516 0.703462 ] [ 0.251576 0.32585 0.917363 ] [ 0.751576 0.17415 0.417363 ] [ 0.251576 0.82585 0.582637 ] [ 0.751576 0.67415 0.082637 ] [ 0.751991 0.804322 0.412354 ] [ 0.251991 0.195678 0.587646 ] [ 0.751991 0.304322 0.087646 ] [ 0.251991 0.695678 0.912354 ] [ 0.576741 0.758051 0.53323 ] [ 0.076741 0.741949 0.03323 ] [ 0.662285 0.23489 0.226083 ] [ 0.576741 0.258051 0.96677 ] [ 0.011702 0.747982 0.449145 ] [ 0.162285 0.26511 0.726083 ] [ 0.511702 0.252018 0.550855 ] [ 0.011702 0.247982 0.050855 ] [ 0.255655 0.032772 0.605252 ] [ 0.076741 0.241949 0.46677 ] [ 0.755655 0.467228 0.105252 ] [ 0.755655 0.967228 0.394748 ] [ 0.255655 0.532772 0.894748 ] [ 0.162285 0.76511 0.773917 ] [ 0.662285 0.73489 0.273917 ] [ 0.511702 0.752018 0.949145 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Zn" "Zn" "Zn" "Zn" "P" "P" "P" "P" "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" 5.49974841 "source-unit" "angstrom" } "b" { "source-value" 9.40294422 "source-unit" "angstrom" } "c" { "source-value" 9.50502903 "source-unit" "angstrom" } }