{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.835494 0.865592 0.425086 ] [ 0.835494 0.134408 0.925086 ] [ 0.164506 0.134408 0.925086 ] [ 0.835494 0.865592 0.074914 ] [ 0.164506 0.134408 0.574914 ] [ 0.164506 0.865592 0.425086 ] [ 0.835494 0.134408 0.574914 ] [ 0.164506 0.865592 0.074914 ] [ 0.335494 0.365592 0.425086 ] [ 0.335494 0.634408 0.925086 ] [ 0.664506 0.634408 0.925086 ] [ 0.335494 0.365592 0.074914 ] [ 0.664506 0.634408 0.574914 ] [ 0.664506 0.365592 0.425086 ] [ 0.335494 0.634408 0.574914 ] [ 0.664506 0.365592 0.074914 ] [ 0.212244 0 0 ] [ 0 0.158811 0.547345 ] [ 0 0.841189 0.047345 ] [ 0.787756 0 0.5 ] [ 0.198946 0.128928 0.75 ] [ 0.801054 0.128928 0.75 ] [ 0.75 0.25 0.5 ] [ 0.212244 0 0.5 ] [ 0 0.158811 0.952655 ] [ 0.787756 0 0 ] [ 0 0.841189 0.452655 ] [ 0.198946 0.871072 0.25 ] [ 0.801054 0.871072 0.25 ] [ 0.75 0.75 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.712244 0.5 0 ] [ 0.5 0.658811 0.547345 ] [ 0.5 0.341189 0.047345 ] [ 0.287756 0.5 0.5 ] [ 0.698946 0.628928 0.75 ] [ 0.301054 0.628928 0.75 ] [ 0.25 0.75 0.5 ] [ 0.712244 0.5 0.5 ] [ 0.5 0.658811 0.952655 ] [ 0.287756 0.5 0 ] [ 0.5 0.341189 0.452655 ] [ 0.698946 0.371072 0.25 ] [ 0.301054 0.371072 0.25 ] [ 0.25 0.25 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.64713713474 "source-unit" "angstrom" } "b" { "source-value" 10.4297405629 "source-unit" "angstrom" } "c" { "source-value" 9.05719309 "source-unit" "angstrom" } }