{ "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" [ "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 7.89345 7.36456 7.036775 6.798621 6.611462 6.457263 6.326136 6.212067 6.111124 6.020596 5.938533 5.863486 5.794351 5.730262 5.670533 5.614609 5.562034 5.512429 5.465476 5.420907 5.37849 5.338028 5.299348 5.2623 5.237079 5.210534 5.18252 5.152864 5.121361 5.087767 5.051784 5.013045 4.971093 4.925347 4.875052 4.819202 4.756416 4.684723 4.601172 4.501047 4.376105 4.20984 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.89345e-10 7.36456e-10 7.036775e-10 6.798621e-10 6.611462000000001e-10 6.457263000000001e-10 6.326136000000001e-10 6.212067000000001e-10 6.111124e-10 6.020596000000001e-10 5.938533e-10 5.863486e-10 5.794351e-10 5.730262e-10 5.670533e-10 5.614609e-10 5.562034e-10 5.512429e-10 5.465476e-10 5.420907e-10 5.378490000000001e-10 5.338028e-10 5.299348e-10 5.2623e-10 5.237079e-10 5.210534e-10 5.182520000000001e-10 5.152864000000001e-10 5.121361e-10 5.087767000000001e-10 5.051784e-10 5.013045e-10 4.971093e-10 4.925347e-10 4.875052e-10 4.819202e-10 4.756416e-10 4.684723e-10 4.601172e-10 4.501047e-10 4.376105e-10 4.20984e-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" [ 7.01828e-06 1.18044e-05 1.61476e-05 2.01393e-05 2.4201e-05 2.77288e-05 3.10107e-05 3.40603e-05 3.6888e-05 3.95022e-05 4.19096e-05 4.4116e-05 4.61262e-05 4.81301e-05 4.9784e-05 5.1254e-05 5.25431e-05 5.36538e-05 5.45884e-05 5.53491e-05 5.59379e-05 5.63564e-05 5.66064e-05 5.66894e-05 5.66483e-05 5.65113e-05 5.62534e-05 5.61911e-05 5.56103e-05 5.47811e-05 5.36279e-05 5.20465e-05 4.98903e-05 4.69481e-05 4.29065e-05 3.72836e-05 2.93072e-05 1.77934e-05 1.63515e-07 -2.81595e-05 -7.77169e-05 -0.000176352 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1244524134228223e-24 1.891273370257152e-24 2.5871307202030084e-24 3.226671561927744e-24 3.87742763999808e-24 4.442643508283905e-24 4.968461853464256e-24 5.457061635743425e-24 5.910109118807041e-24 6.3289501310165765e-24 6.71465813070797e-24 7.068162380321281e-24 7.390231924634497e-24 7.711292097676609e-24 7.976276088990721e-24 8.21179605224832e-24 8.418332640435648e-24 8.596286397707904e-24 8.746025824687872e-24 8.867903400232129e-24 8.962239559664833e-24 9.029290651245313e-24 9.069345066765313e-24 9.082643132717953e-24 9.076058186806464e-24 9.054108367101505e-24 9.012788232051073e-24 9.002806671703488e-24 8.909752253567424e-24 8.776899768170689e-24 8.592136760260033e-24 8.33876854944672e-24 7.993307226469824e-24 7.521914821098048e-24 6.874379118035521e-24 5.9734912259258886e-24 4.695531066110976e-24 2.8508169484542725e-24 2.61979910150112e-26 -4.5116492553417605e-24 -1.2451620022105151e-23 -2.8254705143132164e-23 ] } }