{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.95366 4.621746 4.41604 4.266583 4.149128 4.052358 3.970067 3.898481 3.835133 3.778321 3.726821 3.679724 3.636337 3.596117 3.558633 3.523537 3.490543 3.459412 3.429946 3.401976 3.375357 3.349964 3.32569 3.30244 3.286612 3.269953 3.252373 3.233761 3.213991 3.192909 3.170327 3.146015 3.119688 3.090979 3.059416 3.024366 2.984963 2.939971 2.887537 2.824702 2.746292 2.64195 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.953660000000001e-10 4.621746e-10 4.41604e-10 4.266583e-10 4.1491280000000003e-10 4.052358e-10 3.970067e-10 3.898481e-10 3.835133e-10 3.778321e-10 3.7268210000000005e-10 3.679724e-10 3.636337e-10 3.5961170000000004e-10 3.558633e-10 3.523537e-10 3.490543e-10 3.459412e-10 3.4299460000000004e-10 3.401976e-10 3.3753570000000003e-10 3.349964e-10 3.32569e-10 3.3024399999999997e-10 3.286612e-10 3.269953e-10 3.252373e-10 3.233761e-10 3.213991e-10 3.192909e-10 3.170327e-10 3.146015e-10 3.119688e-10 3.090979e-10 3.059416e-10 3.0243660000000005e-10 2.984963e-10 2.939971e-10 2.887537e-10 2.8247019999999997e-10 2.746292e-10 2.6419500000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.74264 2.46668 3.59477 4.15292 4.62377 5.02808 5.37916 5.68617 5.95581 6.19315 6.40213 6.58594 6.74715 6.88793 7.01007 7.11511 7.2044 7.27909 7.34019 7.38859 7.4251 7.45042 7.4652 7.47 7.46768 7.46005 7.44594 7.42391 7.39197 7.34759 7.28753 7.20745 7.1014 6.96108 6.77464 6.52457 6.184 5.70971 5.02767 4.00039 2.34147 -0.658547 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7920170894737597e-19 3.95205705955512e-19 5.75945649860418e-19 6.653711386871279e-19 7.40809625499018e-19 8.05587228988272e-19 8.618364462547439e-19 9.110248710951778e-19 9.542259618543539e-19 9.9225202208571e-19 1.0257343093830418e-18 1.055183918092596e-18 1.08101260760931e-18 1.1035680502627618e-18 1.1231370356704378e-18 1.1399662990339738e-18 1.1542721341989598e-18 1.166238791478306e-18 1.1760280907120459e-18 1.183782625620606e-18 1.1896321725113398e-18 1.193688883748628e-18 1.1960569008136799e-18 1.1968259455979998e-18 1.1964542406189119e-18 1.19523177984717e-18 1.192971108616596e-18 1.189441513491894e-18 1.1843241613228979e-18 1.177213701421206e-18 1.1675910285574019e-18 1.15476079807233e-18 1.13776971486876e-18 1.115287972340472e-18 1.085416991176176e-18 1.0453513600897378e-18 9.907860304656e-19 9.14796394891614e-19 8.055215397462779e-19 6.40933138488726e-19 3.75144852321198e-19 -1.055108615790798e-19 ] } }