{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.560226 0.028664 0.192042 ] [ 0.439774 0.971336 0.807958 ] [ 0.560226 0.471336 0.192042 ] [ 0.439774 0.528664 0.807958 ] [ 0.983221 0.25 0.892629 ] [ 0.735481 0.428 0.604957 ] [ 0.074984 0.25 0.594161 ] [ 0.735481 0.072 0.604957 ] [ 0.264519 0.572 0.395043 ] [ 0.016779 0.75 0.107371 ] [ 0.925016 0.75 0.405839 ] [ 0.264519 0.928 0.395043 ] [ 0.796726 0.001753 0.795789 ] [ 0.203274 0.501753 0.204211 ] [ 0.796726 0.498247 0.795789 ] [ 0.744154 0.75 0.215347 ] [ 0.255846 0.25 0.784653 ] [ 0.203274 0.998247 0.204211 ] [ 0.702462 0.25 0.354607 ] [ 0.391686 0.75 0.942343 ] [ 0.608314 0.25 0.057657 ] [ 0.297538 0.75 0.645393 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "As" "As" "As" "As" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.27161877344 "source-unit" "angstrom" } "b" { "source-value" 7.07310357 "source-unit" "angstrom" } "c" { "source-value" 11.9936164519 "source-unit" "angstrom" } "beta" { "source-value" 102.834098686 "source-unit" "degree" } }