{ "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" [ [ 0.234886 0.751511 0.162991 ] [ 0.734886 0.248489 0.337009 ] [ 0.734886 0.248489 0.662991 ] [ 0.234886 0.751511 0.837009 ] [ 0.371274 0.118798 0.166612 ] [ 0.623187 0.616538 0 ] [ 0.123517 0.380463 0.822106 ] [ 0.123187 0.383462 0.5 ] [ 0.872681 0.882724 0 ] [ 0.372681 0.117276 0.5 ] [ 0.623517 0.619537 0.322106 ] [ 0.871274 0.881202 0.333388 ] [ 0.123517 0.380463 0.177894 ] [ 0.371274 0.118798 0.833388 ] [ 0.871274 0.881202 0.666612 ] [ 0.623517 0.619537 0.677894 ] [ 0.977405 0.067417 0.165686 ] [ 0.004758 0.563986 0.338122 ] [ 0.977405 0.067417 0.834314 ] [ 0.989753 0.060024 0.5 ] [ 0.504758 0.436014 0.161878 ] [ 0.497499 0.447577 0.5 ] [ 0.997499 0.552423 0 ] [ 0.477405 0.932583 0.334314 ] [ 0.489753 0.939976 0 ] [ 0.004758 0.563986 0.661878 ] [ 0.504758 0.436014 0.838122 ] [ 0.477405 0.932583 0.665686 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.90612391 "source-unit" "angstrom" } "b" { "source-value" 7.59751142 "source-unit" "angstrom" } "c" { "source-value" 12.72601254 "source-unit" "angstrom" } }