{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.971282 0.476749 0 ] [ 0.028718 0.976749 0 ] [ 0.009801 0.459029 0.720845 ] [ 0.009801 0.459029 0.279155 ] [ 0.990199 0.959029 0.720845 ] [ 0.990199 0.959029 0.279155 ] [ 0.495591 0.466671 0 ] [ 0.504409 0.966671 0 ] [ 0.998195 0.716521 0 ] [ 0.001805 0.216521 0 ] ] } "species" { "source-value" [ "W" "W" "Cl" "Cl" "Cl" "Cl" "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" 3.87330505 "source-unit" "angstrom" } "b" { "source-value" 7.72245949 "source-unit" "angstrom" } "c" { "source-value" 8.31579354 "source-unit" "angstrom" } }