{ "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" [ "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 7.29734 6.808391 6.505359 6.285191 6.112165 5.969612 5.848387 5.742932 5.649612 5.565921 5.490055 5.420676 5.356761 5.297512 5.242294 5.190594 5.141989 5.09613 5.052723 5.011519 4.972306 4.934899 4.89914 4.86489 4.841573 4.817033 4.791135 4.763718 4.734595 4.703538 4.670271 4.634458 4.595675 4.553383 4.506887 4.455254 4.397209 4.330931 4.253689 4.161125 4.045619 3.89191 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.297340000000001e-10 6.808391e-10 6.505359e-10 6.285191e-10 6.112165e-10 5.969611999999999e-10 5.848387e-10 5.742932e-10 5.649612000000001e-10 5.565921000000001e-10 5.490055e-10 5.420676e-10 5.356761e-10 5.297512e-10 5.242294000000001e-10 5.190594e-10 5.141989e-10 5.09613e-10 5.052723000000001e-10 5.011519e-10 4.972306e-10 4.934899e-10 4.899140000000001e-10 4.86489e-10 4.841573000000001e-10 4.817033e-10 4.791135e-10 4.763718e-10 4.734595e-10 4.703538e-10 4.670271e-10 4.6344580000000004e-10 4.5956750000000003e-10 4.5533830000000003e-10 4.506887e-10 4.4552540000000004e-10 4.3972090000000004e-10 4.3309309999999995e-10 4.2536889999999996e-10 4.1611250000000005e-10 4.0456190000000003e-10 3.8919100000000004e-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" [ 0.568882 0.8996 1.17662 1.41632 1.62718 1.81446 1.98173 2.1316 2.26606 2.38667 2.4947 2.59121 2.67707 2.75304 2.81977 2.87782 2.9277 2.96985 3.00465 3.03248 3.05365 3.06845 3.07715 3.08 3.07861 3.07403 3.06551 3.05208 3.03253 3.00522 2.96803 2.91807 2.85138 2.76237 2.64298 2.48114 2.25813 1.94337 1.4837 0.778558 -0.386002 -2.55449 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.114494479031879e-20 1.4413180999463999e-19 1.8851530710970798e-19 2.26919481026688e-19 2.60702977531212e-19 2.9070854153276396e-19 3.1750815008968197e-19 3.4151997130344e-19 3.6306283832420396e-19 3.8238669070687797e-19 3.9969500488397996e-19 4.1515761157871393e-19 4.28913900158238e-19 4.41085636046736e-19 4.51776960725418e-19 4.61077596085788e-19 4.6906925313618e-19 4.7582242764849e-19 4.8139800233481e-19 4.85856859907232e-19 4.8924866784141e-19 4.916198892597299e-19 4.930137829313099e-19 4.93470403272e-19 4.93247700719874e-19 4.92513903821502e-19 4.91148849329334e-19 4.88997126109872e-19 4.85864870790402e-19 4.81489326402948e-19 4.75530831501102e-19 4.67526357037638e-19 4.56841441065492e-19 4.42580466846258e-19 4.23452080012932e-19 3.9752245336827596e-19 3.61792312253442e-19 3.1136220052165797e-19 2.3771494718658e-19 1.2473874358137718e-19 -6.18443385077268e-20 -4.0927441897866594e-19 ] } }