{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.009261 0.823504 0.746083 ] [ 0.509261 0.176496 0.753917 ] [ 0.509261 0.176496 0.246083 ] [ 0.009261 0.823504 0.253917 ] [ 0.99709 0.346527 0 ] [ 0.49709 0.653473 0.5 ] [ 0.499858 0.671987 0 ] [ 0.999858 0.328013 0.5 ] [ 0.358259 0.320598 0.5 ] [ 0.858259 0.679402 0 ] [ 0.87474 0.646701 0.5 ] [ 0.37474 0.353299 0 ] [ 0.382405 0.836603 0.756678 ] [ 0.882405 0.163397 0.743322 ] [ 0.882405 0.163397 0.256678 ] [ 0.382405 0.836603 0.243322 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.43070181 "source-unit" "angstrom" } "b" { "source-value" 6.72931781 "source-unit" "angstrom" } "c" { "source-value" 7.75337327 "source-unit" "angstrom" } }