{ "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 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.973625 0.75 0.67812 ] [ 0.473625 0.25 0.82188 ] [ 0.026375 0.25 0.32188 ] [ 0.526375 0.75 0.17812 ] [ 0.232326 0.75 0.122681 ] [ 0.732326 0.25 0.377319 ] [ 0.767674 0.25 0.877319 ] [ 0.267674 0.75 0.622681 ] [ 0.537201 0.75 0.352335 ] [ 0.037201 0.25 0.147665 ] [ 0.462799 0.25 0.647665 ] [ 0.962799 0.75 0.852335 ] [ 0.834288 0.930231 0.625098 ] [ 0.334288 0.069769 0.874902 ] [ 0.165712 0.430231 0.374902 ] [ 0.665712 0.569769 0.125098 ] [ 0.165712 0.069769 0.374902 ] [ 0.665712 0.930231 0.125098 ] [ 0.834288 0.569769 0.625098 ] [ 0.334288 0.430231 0.874902 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "S" "S" "S" "S" "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" 4.82021111 "source-unit" "angstrom" } "b" { "source-value" 6.7928656 "source-unit" "angstrom" } "c" { "source-value" 8.67777369 "source-unit" "angstrom" } }