{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.53579 0.25 0.326876 ] [ 0.46421 0.75 0.673124 ] [ 0.53579 0.75 0.173124 ] [ 0.46421 0.25 0.826876 ] [ 0.243282 0.25 0.043869 ] [ 0.756718 0.75 0.956131 ] [ 0.243282 0.75 0.456131 ] [ 0.756718 0.25 0.543869 ] [ 0.896456 0.25 0.030298 ] [ 0.103544 0.75 0.969702 ] [ 0.896456 0.75 0.469702 ] [ 0.103544 0.25 0.530298 ] [ 0.048992 0.107399 0.136294 ] [ 0.951008 0.607399 0.863706 ] [ 0.048992 0.892601 0.363706 ] [ 0.951008 0.392601 0.636294 ] [ 0.951008 0.892601 0.863706 ] [ 0.048992 0.392601 0.136294 ] [ 0.951008 0.107399 0.636294 ] [ 0.048992 0.607399 0.363706 ] [ 0.059024 0.25 0.086099 ] [ 0.940976 0.75 0.913901 ] [ 0.059024 0.75 0.413901 ] [ 0.940976 0.25 0.586099 ] [ 0.872099 0.25 0.330709 ] [ 0.127901 0.75 0.669291 ] [ 0.872099 0.75 0.169291 ] [ 0.127901 0.25 0.830709 ] [ 0.42187 0.25 0.459313 ] [ 0.57813 0.75 0.540687 ] [ 0.42187 0.75 0.040687 ] [ 0.57813 0.25 0.959313 ] [ 0.418806 0.5 0.25 ] [ 0.581194 0 0.75 ] [ 0.581194 0.5 0.75 ] [ 0.418806 0 0.25 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "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" 4.95935043 "source-unit" "angstrom" } "b" { "source-value" 5.85986322 "source-unit" "angstrom" } "c" { "source-value" 12.00363654 "source-unit" "angstrom" } }