{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.313366 0.960562 0.916301 ] [ 0.813366 0.039438 0.583699 ] [ 0.686634 0.460562 0.083699 ] [ 0.186634 0.539438 0.416301 ] [ 0.686634 0.039438 0.083699 ] [ 0.186634 0.960562 0.416301 ] [ 0.313366 0.539438 0.916301 ] [ 0.813366 0.460562 0.583699 ] [ 0.681474 0.75 0.775565 ] [ 0.181474 0.25 0.724435 ] [ 0.318526 0.25 0.224435 ] [ 0.818526 0.75 0.275565 ] [ 0.156053 0.75 0.702023 ] [ 0.656053 0.25 0.797977 ] [ 0.843947 0.25 0.297977 ] [ 0.343947 0.75 0.202023 ] [ 0.535588 0.75 0.496275 ] [ 0.035588 0.25 0.003725 ] [ 0.464412 0.25 0.503725 ] [ 0.964412 0.75 0.996275 ] [ 0.943231 0.00999 0.828082 ] [ 0.443231 0.99001 0.671918 ] [ 0.056769 0.50999 0.171918 ] [ 0.556769 0.49001 0.328082 ] [ 0.056769 0.99001 0.171918 ] [ 0.556769 0.00999 0.328082 ] [ 0.943231 0.49001 0.828082 ] [ 0.443231 0.50999 0.671918 ] [ 0.576275 0.75 0.013598 ] [ 0.076275 0.25 0.486402 ] [ 0.423725 0.25 0.986402 ] [ 0.923725 0.75 0.513598 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.82326167 "source-unit" "angstrom" } "b" { "source-value" 10.10374428 "source-unit" "angstrom" } "c" { "source-value" 13.5167838 "source-unit" "angstrom" } }