{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.156586 0.558599 ] [ 0.75 0.843414 0.441401 ] [ 0.75 0.656586 0.941401 ] [ 0.25 0.343414 0.058599 ] [ 0.25 0.970029 0.845614 ] [ 0.75 0.029971 0.154386 ] [ 0.75 0.470029 0.654386 ] [ 0.25 0.529971 0.345614 ] [ 0.25 0.177785 0.924173 ] [ 0.75 0.822215 0.075827 ] [ 0.75 0.677785 0.575827 ] [ 0.25 0.322215 0.424173 ] [ 0.25 0.028269 0.703773 ] [ 0.75 0.971731 0.296227 ] [ 0.75 0.528269 0.796227 ] [ 0.25 0.471731 0.203773 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.00123 0.159506 0.123802 ] [ 0.50123 0.840494 0.876198 ] [ 0.50123 0.659506 0.376198 ] [ 0.49877 0.340494 0.623802 ] [ 0.99877 0.840494 0.876198 ] [ 0.49877 0.159506 0.123802 ] [ 0.00123 0.340494 0.623802 ] [ 0.99877 0.659506 0.376198 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "V" "V" "V" "V" "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" 5.61589139 "source-unit" "angstrom" } "b" { "source-value" 7.05995701 "source-unit" "angstrom" } "c" { "source-value" 12.06699878 "source-unit" "angstrom" } }