{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.114415 0.546197 0.609047 ] [ 0.618344 0.697388 0.75 ] [ 0.614415 0.953803 0.109047 ] [ 0.385585 0.046197 0.890953 ] [ 0.614415 0.953803 0.390953 ] [ 0.881656 0.197388 0.75 ] [ 0.381656 0.302612 0.25 ] [ 0.385585 0.046197 0.609047 ] [ 0.885585 0.453803 0.109047 ] [ 0.114415 0.546197 0.890953 ] [ 0.118344 0.802612 0.25 ] [ 0.885585 0.453803 0.390953 ] [ 0.08109 0.852639 0.75 ] [ 0.876807 0.180503 0.960289 ] [ 0.91891 0.147361 0.25 ] [ 0.58109 0.647361 0.25 ] [ 0.123193 0.819497 0.460289 ] [ 0.376807 0.319497 0.039711 ] [ 0.623193 0.680503 0.539711 ] [ 0.623193 0.680503 0.960289 ] [ 0.376807 0.319497 0.460289 ] [ 0.123193 0.819497 0.039711 ] [ 0.41891 0.352639 0.75 ] [ 0.876807 0.180503 0.539711 ] [ 0.895449 0.89143 0.597266 ] [ 0.604551 0.39143 0.902734 ] [ 0.895449 0.89143 0.902734 ] [ 0.395449 0.60857 0.097266 ] [ 0.104551 0.10857 0.402734 ] [ 0.395449 0.60857 0.402734 ] [ 0.604551 0.39143 0.597266 ] [ 0.104551 0.10857 0.097266 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.84392669 "source-unit" "angstrom" } "b" { "source-value" 8.12249333 "source-unit" "angstrom" } "c" { "source-value" 14.99596641 "source-unit" "angstrom" } }