{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.770507 0.157968 0.765469 ] [ 0.229493 0.157968 0.265469 ] [ 0.229493 0.842032 0.265469 ] [ 0.770507 0.842032 0.765469 ] [ 0.270507 0.657968 0.765469 ] [ 0.729493 0.657968 0.265469 ] [ 0.729493 0.342032 0.265469 ] [ 0.270507 0.342032 0.765469 ] [ 0.695207 0 0.34045 ] [ 0.304793 0 0.84045 ] [ 0.195207 0.5 0.34045 ] [ 0.804793 0.5 0.84045 ] [ 0.183947 0.087411 0.856052 ] [ 0.816053 0.087411 0.356052 ] [ 0.501164 0.758808 0.534991 ] [ 0.498836 0.758808 0.034991 ] [ 0.501164 0.241192 0.534991 ] [ 0.498836 0.241192 0.034991 ] [ 0.816053 0.912589 0.356052 ] [ 0.183947 0.912589 0.856052 ] [ 0.557831 0 0.821265 ] [ 0.442169 0 0.321265 ] [ 0.683947 0.587411 0.856052 ] [ 0.316053 0.587411 0.356052 ] [ 0.001164 0.258808 0.534991 ] [ 0.998836 0.258808 0.034991 ] [ 0.001164 0.741192 0.534991 ] [ 0.998836 0.741192 0.034991 ] [ 0.316053 0.412589 0.356052 ] [ 0.683947 0.412589 0.856052 ] [ 0.057831 0.5 0.821265 ] [ 0.942169 0.5 0.321265 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "B" "B" "B" "B" "O" "O" "O" "O" "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" 5.48567338 "source-unit" "angstrom" } "b" { "source-value" 13.86052544 "source-unit" "angstrom" } "c" { "source-value" 5.58983638 "source-unit" "angstrom" } }