{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "species" { "source-value" [ "Np" "Np" "Np" "Np" "Np" "Np" "Np" "Np" ] } "short-name" { "source-value" "orthorhombic" } "basis-atom-coordinates" { "source-value" [ [ 0.2500000000 0.2080000000 0.3600000000E-01 ] [ 0.7500000000 0.7920000000 0.9640000000 ] [ 0.2500000000 0.2920000000 0.5360000000 ] [ 0.7500000000 0.7080000000 0.4640000000 ] [ 0.2500000000 0.8420000000 0.3190000000 ] [ 0.7500000000 0.1580000000 0.6810000000 ] [ 0.2500000000 0.6580000000 0.8190000000 ] [ 0.7500000000 0.3420000000 0.1810000000 ] ] } "space-group" { "source-value" "Pmcn" } "wyckoff-multiplicity-and-letter" { "source-value" [ "4c" "4c" ] } "wyckoff-coordinates" { "source-value" [ [ 0.25 0.208 0.036 ] [ 0.25 0.842 0.319 ] ] } "wyckoff-species" { "source-value" [ "Np" "Np" ] } "temperature" { "source-unit" "K" "source-value" 297 } "cauchy-stress" { "source-unit" "atm" "source-value" [ -1 -1 -1 0 0 0 ] } "a" { "source-unit" "angstrom" "source-value" 4.723 } "b" { "source-unit" "angstrom" "source-value" 4.887 } "c" { "source-unit" "angstrom" "source-value" 6.663 } }