{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.91575 5.519372 5.273713 5.095229 4.954962 4.839397 4.741124 4.655635 4.579983 4.512136 4.450634 4.39439 4.342576 4.294545 4.249781 4.207869 4.168466 4.13129 4.096101 4.062698 4.030909 4.000584 3.971596 3.94383 3.91576 3.886834 3.856998 3.826192 3.794352 3.761406 3.727274 3.691867 3.655086 3.616822 3.576948 3.535324 3.491788 3.446157 3.398219 3.347728 3.294396 3.237886 3.177793 3.113633 3.044815 2.97061 2.890101 2.802117 2.705127 2.597075 2.475109 2.335107 2.170796 1.97192 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.91575e-10 5.519372e-10 5.273713e-10 5.095229e-10 4.954962e-10 4.839397e-10 4.741124000000001e-10 4.655635e-10 4.5799830000000005e-10 4.512136e-10 4.450634e-10 4.39439e-10 4.342576e-10 4.2945450000000004e-10 4.249781e-10 4.207869e-10 4.1684659999999996e-10 4.13129e-10 4.0961010000000003e-10 4.062698e-10 4.0309090000000003e-10 4.000584e-10 3.9715960000000003e-10 3.94383e-10 3.91576e-10 3.886834e-10 3.856998e-10 3.8261919999999997e-10 3.794352e-10 3.7614060000000004e-10 3.727274e-10 3.691867e-10 3.655086e-10 3.616822e-10 3.576948e-10 3.535324e-10 3.491788e-10 3.446157e-10 3.398219e-10 3.3477280000000004e-10 3.294396e-10 3.237886e-10 3.177793e-10 3.113633e-10 3.044815e-10 2.97061e-10 2.890101e-10 2.8021170000000003e-10 2.705127e-10 2.597075e-10 2.475109e-10 2.3351069999999997e-10 2.1707960000000002e-10 1.9719199999999998e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0467625 0.508582 1.24417 2.01069 2.6749 3.19044 3.55734 3.79612 3.93429 3.99954 4.01653 4.00435 3.9764 3.93823 3.88664 3.81915 3.7328 3.62397 3.4883 3.32043 3.11378 2.86017 2.54943 2.1687 1.7017 1.12749 0.418956 -0.459553 -1.55542 -2.93275 -4.67958 -6.92322 -10.7357 -16.8015 -24.4416 -32.9928 -44.5842 -61.9153 -107.136 -165.605 -276.206 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.492178484742499e-21 8.14838196872988e-20 1.9933801027237798e-19 3.2214805362174596e-19 4.2856622782866e-19 5.11164842017896e-19 5.69948702719356e-19 6.08205476386008e-19 6.303427509379859e-19 6.40796953474836e-19 6.43519051576002e-19 6.415676004357899e-19 6.370895167437599e-19 6.30974008531782e-19 6.227083792769759e-19 6.118952891741099e-19 5.9806049393952e-19 5.80624005631698e-19 5.5888727523821995e-19 5.31991536083262e-19 4.98882555941652e-19 4.58249754326778e-19 4.08463717601862e-19 3.4746404661557996e-19 2.7264239780778e-19 1.80643813306866e-19 6.71241513874104e-20 -7.362850786846019e-20 -2.49205758005628e-19 -4.6987835233635e-19 -7.497513732933718e-19 -1.1092221316041478e-18 -1.72004876896338e-18 -2.6918970716151e-18 -3.91597604175744e-18 -5.28602932502352e-18 -7.14317634855828e-18 -9.91992469471002e-18 -1.71650795860224e-17 -2.6532846147356996e-17 -4.42530799370604e-17 ] } }