{ "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" [ 2.792017066470912e-19 3.9520570269949443e-19 5.759456451153216e-19 6.653711332052736e-19 7.408096193956417e-19 8.055872223512065e-19 8.618364391542528e-19 9.110248635894336e-19 9.542259539926848e-19 9.92252013910752e-19 1.0257343009322303e-18 1.0551839093991553e-18 1.0810125987030722e-18 1.1035680411706944e-18 1.1231370264171456e-18 1.1399662896420289e-18 1.154272124689152e-18 1.1662387818699073e-18 1.1760280810229953e-18 1.1837826158676672e-18 1.189632162710208e-18 1.1936888739140737e-18 1.1960568909596162e-18 1.1968259357376e-18 1.1964542307615745e-18 1.195231769999904e-18 1.1929710987879553e-18 1.189441503692333e-18 1.1843241515654976e-18 1.1772136917223874e-18 1.1675910189378625e-18 1.154760788558496e-18 1.137769705494912e-18 1.1152879631518465e-18 1.0854169822336512e-18 1.0453513514773055e-18 9.9078602230272e-19 9.147963873547969e-19 8.0552153310975355e-19 6.409331332082113e-19 3.7514484923045764e-19 -1.0551086070979776e-19 ] } }