{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.75886 8.171984 7.808262 7.543998 7.336319 7.165215 7.019712 6.893136 6.781126 6.680673 6.589613 6.506338 6.429623 6.358508 6.292231 6.230175 6.171836 6.116792 6.064692 6.015236 5.968169 5.923271 5.88035 5.83924 5.811253 5.781798 5.750713 5.717805 5.682849 5.645572 5.605643 5.562657 5.516106 5.465344 5.409535 5.347562 5.277892 5.198338 5.105627 4.994524 4.855884 4.67139 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.75886e-10 8.171984e-10 7.808262e-10 7.543998e-10 7.336319e-10 7.165215e-10 7.019712000000001e-10 6.893136000000001e-10 6.781126e-10 6.680673e-10 6.589613e-10 6.506338e-10 6.429623e-10 6.358508e-10 6.292231000000001e-10 6.230175e-10 6.171836e-10 6.116792000000001e-10 6.064692e-10 6.015236e-10 5.968169e-10 5.923271e-10 5.88035e-10 5.83924e-10 5.811253e-10 5.781798e-10 5.750713000000001e-10 5.717805e-10 5.682849e-10 5.645572e-10 5.605643e-10 5.562657e-10 5.516106e-10 5.465344e-10 5.409535000000001e-10 5.347562000000001e-10 5.277891999999999e-10 5.198338e-10 5.105627000000001e-10 4.994524e-10 4.855884e-10 4.67139e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.954553 1.29002 1.52796 1.70905 1.85465 1.97704 2.08325 2.17732 2.26165 2.33773 2.40652 2.46867 2.52464 2.57479 2.61939 2.65868 2.69284 2.72204 2.74643 2.76614 2.78128 2.79198 2.79832 2.80042 2.79939 2.79597 2.78956 2.77941 2.76451 2.74354 2.71474 2.6757 2.62309 2.55213 2.45586 2.32372 2.13908 1.87434 1.48069 0.863854 -0.181518 -2.19378 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.529362512514602e-19 2.0668399013926797e-19 2.44806180968664e-19 2.7381999763376997e-19 2.9714768942481e-19 3.1675672924833596e-19 3.3377344727804997e-19 3.48845122874088e-19 3.6235627842860995e-19 3.74545638260082e-19 3.85567011325368e-19 3.9552453910567796e-19 4.04491921726176e-19 4.12526837545686e-19 4.19672545333326e-19 4.2596749732831196e-19 4.3144053271005594e-19 4.36118888481336e-19 4.40026597291662e-19 4.43184487437276e-19 4.45610182861152e-19 4.47324511859532e-19 4.48340291845488e-19 4.48676748938628e-19 4.485117247453259e-19 4.47963780336498e-19 4.469367851141039e-19 4.453105758305939e-19 4.42923332645934e-19 4.395635682444359e-19 4.349492995385159e-19 4.2869440195937997e-19 4.2026535068790596e-19 4.08896305293042e-19 3.9347215083752396e-19 3.7230098879584793e-19 3.4271839942567195e-19 3.0030237521715597e-19 2.37232692019746e-19 1.384046693987436e-19 -2.90823898250412e-20 -3.5148230561365195e-19 ] } }