{ "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 6.17887 5.764864 5.508279 5.321856 5.175351 5.054647 4.952003 4.862712 4.783695 4.712831 4.648594 4.589849 4.53573 4.485563 4.438808 4.395032 4.353877 4.315047 4.278293 4.243405 4.210202 4.178529 4.148251 4.11925 4.089932 4.059719 4.028556 3.99638 3.963124 3.928712 3.893061 3.85608 3.817663 3.777697 3.736049 3.692573 3.647101 3.599441 3.54937 3.496633 3.44093 3.381906 3.31914 3.252126 3.180247 3.102741 3.018651 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.17887e-10 5.764864e-10 5.508279e-10 5.321856e-10 5.175351e-10 5.054647e-10 4.952003000000001e-10 4.862712e-10 4.783695e-10 4.712831000000001e-10 4.6485940000000005e-10 4.589849e-10 4.5357300000000004e-10 4.485563e-10 4.438808e-10 4.3950319999999997e-10 4.3538769999999997e-10 4.315047e-10 4.278293e-10 4.243405e-10 4.2102019999999997e-10 4.1785290000000006e-10 4.1482510000000004e-10 4.11925e-10 4.0899320000000004e-10 4.0597190000000003e-10 4.0285560000000004e-10 3.99638e-10 3.9631240000000004e-10 3.9287120000000003e-10 3.893061e-10 3.85608e-10 3.8176630000000003e-10 3.777697e-10 3.736049e-10 3.692573e-10 3.647101e-10 3.599441e-10 3.5493700000000004e-10 3.4966330000000003e-10 3.4409299999999997e-10 3.381906e-10 3.3191400000000003e-10 3.252126e-10 3.180247e-10 3.102741e-10 3.0186510000000005e-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" [ 0.00480459 0.0412905 0.163466 0.439138 0.913307 1.56879 2.32627 3.08888 3.78628 4.38654 4.88535 5.29174 5.61887 5.87975 6.08587 6.24698 6.37125 6.46547 6.5353 6.58543 6.6197 6.64125 6.65268 6.65609 6.65289 6.64345 6.62727 6.60339 6.57045 6.52666 6.46964 6.39622 6.30244 6.18483 6.03862 5.8576 5.63372 5.35625 5.01023 4.57403 4.01568 3.28853 2.3263 1.03748 -0.702559 -3.06259 -6.27043 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.69780183395006e-22 6.6154674306177e-21 2.61901405653444e-20 7.03576642701492e-20 1.463279135068638e-19 2.5134786816528595e-19 3.72709543837518e-19 4.94893136122992e-19 6.06628934578152e-19 7.028011892106359e-19 7.8271936189119e-19 8.478302181203159e-19 9.00242222348358e-19 9.420398063761498e-19 9.75063871156158e-19 1.000876538906532e-18 1.02078678793725e-18 1.0358824961827979e-18 1.04707049561802e-18 1.0551022070842619e-18 1.06059286640898e-18 1.06404555705525e-18 1.065876844947912e-18 1.0664231871801058e-18 1.065910490657226e-18 1.06439803591473e-18 1.061805714120918e-18 1.0579797163189259e-18 1.0527021464865299e-18 1.0456862150062438e-18 1.036550603839176e-18 1.0247874229923478e-18 1.0097622105186959e-18 9.90919011126222e-19 9.67493586560508e-19 9.3849098513184e-19 9.02621454649848e-19 8.581658595862499e-19 8.02727343696582e-19 7.328403989215019e-19 6.433828665621119e-19 5.26880592620802e-19 3.7271435036741996e-19 1.6622262142423198e-19 -1.125623613806406e-19 -4.9068101375220595e-19 -1.004633643113262e-18 ] } }