{ "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 0 0 ] [ 0 0.5 0 ] [ 0.995374 0.25 0.725012 ] [ 0.504626 0.25 0.225012 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.495374 0.75 0.774988 ] [ 0.004626 0.75 0.274988 ] [ 0.928156 0.75 0.595596 ] [ 0.571844 0.75 0.095596 ] [ 0.428156 0.25 0.904404 ] [ 0.071844 0.25 0.404404 ] [ 0.790773 0.75 0.452144 ] [ 0.781461 0.960768 0.662047 ] [ 0.781461 0.539232 0.662047 ] [ 0.736702 0.25 0.40483 ] [ 0.763298 0.25 0.90483 ] [ 0.718539 0.960768 0.162047 ] [ 0.718539 0.539232 0.162047 ] [ 0.709227 0.75 0.952144 ] [ 0.290773 0.25 0.047856 ] [ 0.281461 0.039232 0.837953 ] [ 0.281461 0.460768 0.837953 ] [ 0.236702 0.75 0.09517 ] [ 0.263298 0.75 0.59517 ] [ 0.218539 0.039232 0.337953 ] [ 0.218539 0.460768 0.337953 ] [ 0.209227 0.25 0.547856 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "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" 4.8817943 "source-unit" "angstrom" } "b" { "source-value" 6.27144531 "source-unit" "angstrom" } "c" { "source-value" 10.68107898 "source-unit" "angstrom" } }