{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.075677 0.25 ] [ 0.75 0.366481 0.895351 ] [ 0.25 0.633519 0.104649 ] [ 0.75 0.366481 0.604649 ] [ 0.25 0.297425 0.75 ] [ 0.75 0.924323 0.75 ] [ 0.75 0.702575 0.25 ] [ 0.25 0.200248 0.476424 ] [ 0.25 0.200248 0.023576 ] [ 0.75 0.799752 0.976424 ] [ 0.75 0.34089 0.336733 ] [ 0.75 0.799752 0.523576 ] [ 0.25 0.65911 0.836733 ] [ 0.75 0.34089 0.163267 ] [ 0.25 0.65911 0.663267 ] [ 0.25 0.633519 0.395351 ] [ 0.25 0.03751 0.87453 ] [ 0.75 0.96249 0.37453 ] [ 0.25 0.03751 0.62547 ] [ 0.75 0.96249 0.12547 ] [ 0.25 0.45708 0.25 ] [ 0.75 0.54292 0.75 ] [ 0.25 0.539418 0.532407 ] [ 0.75 0.460582 0.467593 ] [ 0.25 0.539418 0.967593 ] [ 0.75 0.460582 0.032407 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.93299331 "source-unit" "angstrom" } "b" { "source-value" 6.08446372 "source-unit" "angstrom" } "c" { "source-value" 14.67955565 "source-unit" "angstrom" } }