{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.935204 ] [ 0.75 0.5 0.564796 ] [ 0.75 0 0.064796 ] [ 0.25 0.5 0.435204 ] [ 0.46419 0.636658 0.153485 ] [ 0.96419 0.863342 0.346515 ] [ 0.53581 0.136658 0.346515 ] [ 0.03581 0.363342 0.153485 ] [ 0.96419 0.636658 0.846515 ] [ 0.46419 0.863342 0.653485 ] [ 0.03581 0.136658 0.653485 ] [ 0.53581 0.363342 0.846515 ] [ 0.052282 0.154764 0.066412 ] [ 0.552282 0.345236 0.433588 ] [ 0.947718 0.654764 0.433588 ] [ 0.447718 0.845236 0.066412 ] [ 0.947718 0.845236 0.933588 ] [ 0.447718 0.654764 0.566412 ] [ 0.052282 0.345236 0.566412 ] [ 0.552282 0.154764 0.933588 ] [ 0.75 0 0.435291 ] [ 0.25 0.5 0.064709 ] [ 0.25 0 0.564709 ] [ 0.75 0.5 0.935291 ] [ 0.670267 0.195645 0.210188 ] [ 0.170267 0.304355 0.289812 ] [ 0.329733 0.695645 0.289812 ] [ 0.829733 0.804355 0.210188 ] [ 0.329733 0.804355 0.789812 ] [ 0.829733 0.695645 0.710188 ] [ 0.670267 0.304355 0.710188 ] [ 0.170267 0.195645 0.789812 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 6.14540042 "source-unit" "angstrom" } "b" { "source-value" 6.98090159 "source-unit" "angstrom" } "c" { "source-value" 10.51419753 "source-unit" "angstrom" } }