{ "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" [ "Sr" "Sr" "Sr" "Sr" ] } "a" { "source-value" [ 9.12521 8.513787 8.134851 7.859534 7.643168 7.464907 7.313318 7.181448 7.064753 6.960098 6.865229 6.778471 6.698547 6.624457 6.555408 6.490757 6.429977 6.372631 6.318352 6.266827 6.217792 6.171015 6.126299 6.08347 6.040172 5.995552 5.949529 5.90201 5.852896 5.802076 5.749425 5.694809 5.638074 5.57905 5.517544 5.453337 5.386182 5.315795 5.241849 5.163965 5.081699 4.99453 4.901835 4.802867 4.696713 4.582249 4.458061 4.322343 4.172734 4.00606 3.817923 3.601967 3.348511 3.04174 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.12521e-10 8.513787000000001e-10 8.134850999999999e-10 7.859534e-10 7.643168e-10 7.464907000000001e-10 7.313318000000001e-10 7.181447999999999e-10 7.064753e-10 6.960098000000001e-10 6.865229e-10 6.778471e-10 6.698547e-10 6.624457e-10 6.555408e-10 6.490757000000001e-10 6.429977e-10 6.372631000000001e-10 6.318352e-10 6.266827000000001e-10 6.217792000000001e-10 6.171015e-10 6.126299000000001e-10 6.08347e-10 6.040172e-10 5.995552000000001e-10 5.949529e-10 5.90201e-10 5.852896e-10 5.802076e-10 5.749425e-10 5.694809000000001e-10 5.638073999999999e-10 5.579049999999999e-10 5.517544e-10 5.453337000000001e-10 5.386182e-10 5.315795e-10 5.241849000000001e-10 5.163965e-10 5.081699000000001e-10 4.99453e-10 4.901835e-10 4.802867e-10 4.696713e-10 4.582249e-10 4.458061e-10 4.3223430000000004e-10 4.1727340000000005e-10 4.00606e-10 3.817923e-10 3.6019670000000004e-10 3.348511e-10 3.04174e-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" [ 0.594552 0.791787 0.936995 1.05336 1.14965 1.23118 1.30111 1.362 1.41522 1.46174 1.50257 1.53844 1.56978 1.59703 1.62065 1.64101 1.65828 1.67268 1.68442 1.69378 1.70088 1.7058 1.70867 1.70961 1.70872 1.70593 1.70055 1.69215 1.68017 1.66396 1.64272 1.61551 1.58117 1.53865 1.48589 1.42071 1.34049 1.24167 1.12022 0.970316 0.784655 0.553358 0.263892 -0.102433 -0.570772 -1.17755 -1.97628 -3.04884 -4.52365 -6.6145 -9.70228 -14.506 -22.5471 -37.54 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.525773220979679e-20 1.268582630504958e-19 1.5012314951748298e-19 1.68766877919024e-19 1.8419423672781e-19 1.9725678282481198e-19 2.0846080402637399e-19 2.182164575508e-19 2.26743241596948e-19 2.34196567298316e-19 2.4073825449493797e-19 2.4648526208109597e-19 2.51506483652052e-19 2.5587241497970196e-19 2.5965675618920995e-19 2.62918787816034e-19 2.65685746862952e-19 2.67992881215912e-19 2.69873836584228e-19 2.71373473913652e-19 2.7251101932379197e-19 2.7329929022771997e-19 2.7375911492167795e-19 2.73909719525274e-19 2.73767125804848e-19 2.7332011852396197e-19 2.7245814749487e-19 2.7111231912230997e-19 2.6919291151477797e-19 2.66595783191064e-19 2.6319276002044797e-19 2.5883323739933396e-19 2.5333136283817796e-19 2.4651890779041e-19 2.3806582386942596e-19 2.27622836569014e-19 2.1477017561106598e-19 1.9893746611387798e-19 1.7947903089394798e-19 1.5546176227963438e-19 1.2571559067512699e-19 8.865772578369719e-20 4.22801596299528e-20 -1.64115759150522e-20 -9.144775617414479e-20 -1.8866430953667e-19 -3.16634963824152e-19 -4.88478020880456e-19 -7.247686330394099e-19 -1.0597597345592998e-18 -1.554476631252552e-18 -2.3241174252804e-18 -3.61244367844614e-18 -6.014571084035999e-18 ] } }