{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mg" "Mg" ] } "a" { "source-value" [ 5.34213 4.984188 4.762349 4.601172 4.474506 4.370147 4.281403 4.204203 4.135887 4.07462 4.019081 3.968291 3.921501 3.878127 3.837704 3.799856 3.764274 3.730702 3.698926 3.668762 3.640055 3.612671 3.586493 3.56142 3.544351 3.526386 3.507427 3.487356 3.466036 3.4433 3.418948 3.39273 3.364338 3.333378 3.29934 3.261542 3.21905 3.17053 3.113984 3.046222 2.961664 2.84914 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.34213e-10 4.984188e-10 4.762349e-10 4.601172e-10 4.4745060000000003e-10 4.370147e-10 4.281403e-10 4.2042029999999997e-10 4.1358870000000007e-10 4.07462e-10 4.019081e-10 3.968291e-10 3.921501e-10 3.878127e-10 3.8377040000000003e-10 3.7998560000000004e-10 3.764274e-10 3.730702e-10 3.6989260000000006e-10 3.668762e-10 3.640055e-10 3.6126710000000004e-10 3.586493e-10 3.5614200000000004e-10 3.544351e-10 3.526386e-10 3.507427e-10 3.487356e-10 3.466036e-10 3.4433e-10 3.418948e-10 3.39273e-10 3.364338e-10 3.3333780000000003e-10 3.29934e-10 3.261542e-10 3.2190500000000004e-10 3.17053e-10 3.113984e-10 3.046222e-10 2.961664e-10 2.84914e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.408145 0.541956 0.658375 0.764539 0.848709 0.915009 0.972136 1.02622 1.07765 1.12862 1.17998 1.23075 1.27917 1.32368 1.36329 1.39765 1.42691 1.45152 1.47197 1.48862 1.5017 1.51124 1.51698 1.51884 1.51797 1.51519 1.51023 1.50277 1.49243 1.47865 1.4607 1.43756 1.40786 1.3698 1.32096 1.25795 1.17653 1.0713 0.932877 0.735563 0.396378 -0.275505 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.53920376896416e-20 8.683092327022848e-20 1.0548330327192002e-19 1.2249265114898113e-19 1.3597817176625473e-19 1.4660060276215872e-19 1.5575335714380288e-19 1.644185691797376e-19 1.72658563540512e-19 1.808248577767296e-19 1.890536369011584e-19 1.9718788760496e-19 2.049456268028736e-19 2.1207691494205442e-19 2.1842313653704317e-19 2.2392821540611204e-19 2.286161841985728e-19 2.325591408623616e-19 2.3583559205189763e-19 2.385032161255296e-19 2.40598863145536e-19 2.421273396417792e-19 2.4304698902211843e-19 2.433449938735872e-19 2.432056045075776e-19 2.427601994069952e-19 2.4196551980307843e-19 2.407702960439616e-19 2.391136454180544e-19 2.3690584603459203e-19 2.3402993900025604e-19 2.303225022997248e-19 2.255640377359488e-19 2.19466153517184e-19 2.116411229011968e-19 2.01545808013536e-19 1.8850088596698243e-19 1.71641181386304e-19 1.4946337194820417e-19 1.1785018417255104e-19 6.350675645994624e-20 -4.41407669913504e-20 ] } }