{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.522776 0.25 0.348668 ] [ 0.977224 0.25 0.848668 ] [ 0.477224 0.75 0.651332 ] [ 0.022776 0.75 0.151332 ] [ 0.496925 0.25 0.078864 ] [ 0.996925 0.75 0.421136 ] [ 0.003075 0.25 0.578864 ] [ 0.503075 0.75 0.921136 ] [ 0.971532 0.010634 0.664697 ] [ 0.971532 0.489366 0.664697 ] [ 0.121081 0.25 0.052225 ] [ 0.378919 0.25 0.552225 ] [ 0.028468 0.989366 0.335303 ] [ 0.528468 0.489366 0.164697 ] [ 0.621081 0.75 0.447775 ] [ 0.528468 0.010634 0.164697 ] [ 0.878919 0.75 0.947775 ] [ 0.028468 0.510634 0.335303 ] [ 0.471532 0.989366 0.835303 ] [ 0.471532 0.510634 0.835303 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Se" "Se" "Se" "Se" "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" 4.49779827 "source-unit" "angstrom" } "b" { "source-value" 5.5809008 "source-unit" "angstrom" } "c" { "source-value" 12.76339792 "source-unit" "angstrom" } }