{ "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 0.438024 0.325183 ] [ 0.75 0.938024 0.174817 ] [ 0.75 0.561976 0.674817 ] [ 0.25 0.061976 0.825183 ] [ 0.75 0.65165 0.013752 ] [ 0.25 0.15165 0.486248 ] [ 0.75 0.84835 0.513752 ] [ 0.25 0.34835 0.986248 ] [ 0.75 0.828229 0.830943 ] [ 0.75 0.671771 0.330943 ] [ 0.25 0.171771 0.169057 ] [ 0.25 0.328229 0.669057 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "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" 3.82419825 "source-unit" "angstrom" } "b" { "source-value" 5.46621656 "source-unit" "angstrom" } "c" { "source-value" 11.40406706 "source-unit" "angstrom" } }