{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.253754 0.876099 0.003554 ] [ 0.746246 0.376099 0.496446 ] [ 0.746246 0.123901 0.996446 ] [ 0.253754 0.623901 0.503554 ] [ 0.753088 0.873016 0.504041 ] [ 0.246912 0.373016 0.995959 ] [ 0.246912 0.126984 0.495959 ] [ 0.753088 0.626984 0.004041 ] [ 0.994151 0.721397 0.755684 ] [ 0.005849 0.221397 0.744316 ] [ 0.005849 0.278603 0.244316 ] [ 0.994151 0.778603 0.255684 ] [ 0.492609 0.528572 0.747516 ] [ 0.507391 0.028572 0.752484 ] [ 0.507391 0.471428 0.252484 ] [ 0.492609 0.971428 0.247516 ] [ 0.262802 0.631487 0.928303 ] [ 0.737198 0.131487 0.571697 ] [ 0.737198 0.368513 0.071697 ] [ 0.262802 0.868513 0.428303 ] [ 0.535384 0.778546 0.840695 ] [ 0.464616 0.278546 0.659305 ] [ 0.464616 0.221454 0.159305 ] [ 0.535384 0.721454 0.340695 ] [ 0.419605 0.795388 0.656829 ] [ 0.580395 0.295388 0.843171 ] [ 0.580395 0.204612 0.343171 ] [ 0.419605 0.704612 0.156829 ] [ 0.084792 0.954723 0.654116 ] [ 0.915208 0.454723 0.845884 ] [ 0.915208 0.045277 0.345884 ] [ 0.084792 0.545277 0.154116 ] [ 0.965963 0.968771 0.837991 ] [ 0.034037 0.468771 0.662009 ] [ 0.034037 0.031229 0.162009 ] [ 0.965963 0.531229 0.337991 ] [ 0.764348 0.616665 0.576558 ] [ 0.235652 0.116665 0.923442 ] [ 0.235652 0.383335 0.423442 ] [ 0.764348 0.883335 0.076558 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.73909311582 "source-unit" "angstrom" } "b" { "source-value" 13.11468907 "source-unit" "angstrom" } "c" { "source-value" 15.3478690093 "source-unit" "angstrom" } "beta" { "source-value" 90.039773067 "source-unit" "degree" } }