{ "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" [ 5.34308 4.985073 4.763195 4.601989 4.4753 4.370923 4.282163 4.204949 4.136621 4.075342 4.019793 3.968994 3.922196 3.878814 3.838384 3.800529 3.76494 3.731363 3.69958 3.669411 3.640699 3.61331 3.587128 3.56205 3.544978 3.52701 3.508047 3.487973 3.466649 3.443909 3.419552 3.393329 3.364932 3.333967 3.299922 3.262117 3.219617 3.171088 3.114532 3.046758 2.962184 2.84964 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.34308e-10 4.985073e-10 4.763195e-10 4.601989e-10 4.4753e-10 4.3709230000000005e-10 4.282163e-10 4.204949e-10 4.136621e-10 4.0753420000000003e-10 4.0197930000000003e-10 3.968994e-10 3.922196e-10 3.8788140000000004e-10 3.838384e-10 3.8005290000000004e-10 3.7649400000000004e-10 3.7313630000000003e-10 3.69958e-10 3.669411e-10 3.6406990000000004e-10 3.61331e-10 3.587128e-10 3.56205e-10 3.544978e-10 3.5270100000000004e-10 3.508047e-10 3.4879730000000004e-10 3.466649e-10 3.443909e-10 3.419552e-10 3.393329e-10 3.3649320000000003e-10 3.333967e-10 3.299922e-10 3.2621170000000003e-10 3.219617e-10 3.1710880000000004e-10 3.1145320000000003e-10 3.0467580000000003e-10 2.9621840000000004e-10 2.84964e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.320773 0.477538 0.610996 0.733451 0.833089 0.911611 0.975905 1.03358 1.08666 1.13781 1.18832 1.23765 1.28443 1.32734 1.3655 1.3986 1.42679 1.45047 1.47014 1.48614 1.4987 1.50785 1.51335 1.51514 1.5143 1.5116 1.50678 1.49951 1.48941 1.47595 1.45843 1.43587 1.40684 1.36943 1.32101 1.2578 1.17502 1.06699 0.925102 0.726993 0.39523 -0.267272 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.139350011838784e-20 7.651002191435905e-20 9.789235066023169e-20 1.1751180447023809e-19 1.3347557188456511e-19 1.4605618314641088e-19 1.5635721751218242e-19 1.655977711726464e-19 1.741021246758528e-19 1.822972580912448e-19 1.9038985220290562e-19 1.98293389473312e-19 2.057883717054144e-19 2.126633115852672e-19 2.1877721757024e-19 2.2408042218508804e-19 2.2859695807912323e-19 2.323909123171776e-19 2.355423937302912e-19 2.381058763235712e-19 2.40118210159296e-19 2.41584201767328e-19 2.42465398908768e-19 2.427521885238912e-19 2.42617605687744e-19 2.4218501800012804e-19 2.4141276886890243e-19 2.402479864655808e-19 2.386297880785728e-19 2.36473258346976e-19 2.336662449073344e-19 2.300517344508096e-19 2.2540061572062725e-19 2.194068729822144e-19 2.1164913378430082e-19 2.0152177536422403e-19 1.882589572972416e-19 1.7095064326273923e-19 1.4821767962553218e-19 1.1647711880852543e-19 6.33228265838784e-20 -4.2821694979445765e-20 ] } }