{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.502853 0.13361 ] [ 0.75 0.497147 0.86639 ] [ 0.75 0.002853 0.36639 ] [ 0.25 0.997147 0.63361 ] [ 0.25 0.120892 0.953632 ] [ 0.75 0.620892 0.546368 ] [ 0.75 0.879108 0.046368 ] [ 0.25 0.379108 0.453632 ] [ 0.25 0.264503 0.79266 ] [ 0.75 0.735497 0.20734 ] [ 0.75 0.764503 0.70734 ] [ 0.25 0.235497 0.29266 ] [ 0.25 0.740893 0.959319 ] [ 0.25 0.759107 0.459319 ] [ 0.75 0.240893 0.540681 ] [ 0.75 0.259107 0.040681 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.89388421 "source-unit" "angstrom" } "b" { "source-value" 6.20270354 "source-unit" "angstrom" } "c" { "source-value" 13.15179995 "source-unit" "angstrom" } }