{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.336384 0.926589 ] [ 0.75 0.663616 0.073411 ] [ 0.25 0.836384 0.573411 ] [ 0.75 0.163616 0.426589 ] [ 0.25 0.002474 0.196239 ] [ 0.75 0.997526 0.803761 ] [ 0.25 0.502474 0.303761 ] [ 0.75 0.497526 0.696239 ] [ 0.25 0.772227 0.916704 ] [ 0.75 0.227773 0.083296 ] [ 0.25 0.272227 0.583296 ] [ 0.75 0.727773 0.416704 ] [ 0.989245 0.292524 0.163011 ] [ 0.489245 0.707476 0.836989 ] [ 0.510755 0.792524 0.336989 ] [ 0.010755 0.207476 0.663011 ] [ 0.010755 0.707476 0.836989 ] [ 0.510755 0.292524 0.163011 ] [ 0.489245 0.207476 0.663011 ] [ 0.989245 0.792524 0.336989 ] [ 0.25 0.688855 0.070416 ] [ 0.75 0.311145 0.929584 ] [ 0.25 0.188855 0.429584 ] [ 0.75 0.811145 0.570416 ] [ 0.75 0.508414 0.428278 ] [ 0.25 0.491586 0.571722 ] [ 0.75 0.008414 0.071722 ] [ 0.25 0.991586 0.928278 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ba" "Ba" "Ba" "Ba" "V" "V" "V" "V" "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" 6.02528622 "source-unit" "angstrom" } "b" { "source-value" 7.88736386 "source-unit" "angstrom" } "c" { "source-value" 10.57497936 "source-unit" "angstrom" } }