{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.979032 0.75 0.321855 ] [ 0.479032 0.25 0.178145 ] [ 0.020968 0.25 0.678145 ] [ 0.520968 0.75 0.821855 ] [ 0.999439 0.75 0.651359 ] [ 0.499439 0.25 0.848641 ] [ 0.000561 0.25 0.348641 ] [ 0.500561 0.75 0.151359 ] [ 0.939499 0.75 0.138245 ] [ 0.439499 0.25 0.361755 ] [ 0.060501 0.25 0.861755 ] [ 0.560501 0.75 0.638245 ] [ 0.286312 0.75 0.382101 ] [ 0.786312 0.25 0.117899 ] [ 0.713688 0.25 0.617899 ] [ 0.213688 0.75 0.882101 ] [ 0.822864 0.550787 0.384862 ] [ 0.322864 0.449213 0.115138 ] [ 0.177136 0.050787 0.615138 ] [ 0.677136 0.949213 0.884862 ] [ 0.177136 0.449213 0.615138 ] [ 0.677136 0.550787 0.884862 ] [ 0.822864 0.949213 0.384862 ] [ 0.322864 0.050787 0.115138 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "V" "V" "V" "V" "Ag" "Ag" "Ag" "Ag" "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" 5.44866602 "source-unit" "angstrom" } "b" { "source-value" 6.91750769 "source-unit" "angstrom" } "c" { "source-value" 9.76279097 "source-unit" "angstrom" } }