{ "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 0.921512 0.899947 ] [ 0.75 0.078488 0.100053 ] [ 0.75 0.421512 0.600053 ] [ 0.25 0.578488 0.399947 ] [ 0.25 0.118961 0.291545 ] [ 0.75 0.881039 0.708455 ] [ 0.75 0.618961 0.208455 ] [ 0.25 0.381039 0.791545 ] [ 0.25 0.401161 0.074474 ] [ 0.75 0.598839 0.925526 ] [ 0.75 0.901161 0.425526 ] [ 0.25 0.098839 0.574474 ] [ 0.25 0.692586 0.652481 ] [ 0.75 0.307414 0.347519 ] [ 0.75 0.192586 0.847519 ] [ 0.25 0.807414 0.152481 ] [ 0.996732 0.165559 0.434231 ] [ 0.496732 0.834441 0.565769 ] [ 0.003268 0.665559 0.065769 ] [ 0.503268 0.334441 0.934231 ] [ 0.003268 0.834441 0.565769 ] [ 0.503268 0.165559 0.434231 ] [ 0.996732 0.334441 0.934231 ] [ 0.496732 0.665559 0.065769 ] [ 0.500786 0.360501 0.224657 ] [ 0.000786 0.639499 0.775343 ] [ 0.499214 0.860501 0.275343 ] [ 0.999214 0.139499 0.724657 ] [ 0.499214 0.639499 0.775343 ] [ 0.999214 0.360501 0.224657 ] [ 0.500786 0.139499 0.724657 ] [ 0.000786 0.860501 0.275343 ] [ 0.25 0.076308 0.102487 ] [ 0.75 0.923692 0.897513 ] [ 0.75 0.576308 0.397513 ] [ 0.25 0.423692 0.602487 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.74116334 "source-unit" "angstrom" } "b" { "source-value" 7.10775587 "source-unit" "angstrom" } "c" { "source-value" 12.32996078 "source-unit" "angstrom" } }