{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.690638 0.5 0.825469 ] [ 0.190638 0 0.674531 ] [ 0.5 0.204449 0.233345 ] [ 0.5 0.795551 0.766655 ] [ 0 0.704449 0.266655 ] [ 0 0.295551 0.733345 ] [ 0.809362 0 0.325469 ] [ 0.309362 0.5 0.174531 ] [ 0.208011 0.182546 0 ] [ 0.208011 0.817454 0 ] [ 0.791989 0.182546 0 ] [ 0.791989 0.817454 0 ] [ 0.190638 0 0.325469 ] [ 0.690638 0.5 0.174531 ] [ 0 0.704449 0.733345 ] [ 0 0.295551 0.266655 ] [ 0.5 0.204449 0.766655 ] [ 0.5 0.795551 0.233345 ] [ 0.309362 0.5 0.825469 ] [ 0.809362 0 0.674531 ] [ 0.708011 0.682546 0.5 ] [ 0.708011 0.317454 0.5 ] [ 0.291989 0.682546 0.5 ] [ 0.291989 0.317454 0.5 ] [ 0 0 0.876446 ] [ 0 0 0.123554 ] [ 0 0.15055 0.5 ] [ 0.5 0.34945 0 ] [ 0.5 0.5 0.376446 ] [ 0.5 0.5 0.623554 ] [ 0.5 0.65055 0 ] [ 0 0.84945 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.19989533806 "source-unit" "angstrom" } "b" { "source-value" 9.59544978865 "source-unit" "angstrom" } "c" { "source-value" 10.0762274711 "source-unit" "angstrom" } }