{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.42251 5.059182 4.834007 4.670404 4.541833 4.435904 4.345825 4.267464 4.19812 4.13593 4.079556 4.028002 3.980509 3.936482 3.895451 3.857033 3.820916 3.786839 3.754584 3.723967 3.694828 3.667032 3.640461 3.61501 3.58928 3.562766 3.535417 3.50718 3.477994 3.447795 3.416508 3.384053 3.350339 3.315265 3.278715 3.240561 3.200655 3.158829 3.114887 3.068605 3.01972 2.967921 2.912838 2.854028 2.790947 2.722928 2.649131 2.568482 2.479579 2.380535 2.268737 2.140408 1.989795 1.8075 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.42251e-10 5.059182e-10 4.834007e-10 4.670404000000001e-10 4.541833e-10 4.435904e-10 4.345825e-10 4.2674640000000004e-10 4.1981200000000004e-10 4.1359300000000004e-10 4.0795560000000005e-10 4.028002e-10 3.980509e-10 3.936482e-10 3.895451e-10 3.857033e-10 3.820916e-10 3.7868390000000003e-10 3.754584e-10 3.723967e-10 3.694828e-10 3.667032e-10 3.6404610000000005e-10 3.61501e-10 3.58928e-10 3.562766e-10 3.535417e-10 3.50718e-10 3.477994e-10 3.447795e-10 3.416508e-10 3.384053e-10 3.3503390000000003e-10 3.315265e-10 3.2787150000000004e-10 3.240561e-10 3.2006549999999997e-10 3.158829e-10 3.1148870000000003e-10 3.0686049999999997e-10 3.01972e-10 2.967921e-10 2.9128379999999997e-10 2.8540280000000003e-10 2.790947e-10 2.722928e-10 2.649131e-10 2.568482e-10 2.4795790000000004e-10 2.380535e-10 2.2687369999999998e-10 2.140408e-10 1.9897950000000002e-10 1.8075000000000002e-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" [ 1.19063 1.57667 1.86617 2.10122 2.29943 2.47018 2.6192 2.75032 2.86624 2.96899 3.06009 3.14078 3.21205 3.27471 3.32944 3.37682 3.41736 3.45148 3.47957 3.50195 3.51893 3.53078 3.53773 3.54 3.53754 3.52957 3.51506 3.49275 3.46118 3.41853 3.36263 3.29082 3.19983 3.08562 2.94316 2.76617 2.54669 2.27457 1.93674 1.51617 0.990412 0.329462 -0.507423 -1.57646 -2.9569 -4.76279 -7.16273 -10.4136 -14.9208 -21.3531 -30.8724 -45.6364 -70.0131 -113.932 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.90759956573942e-19 2.52610383352878e-19 2.98993396907178e-19 3.36652558689348e-19 3.68409301751862e-19 3.9576646777741197e-19 4.1964210397728e-19 4.406498440022879e-19 4.592222755436159e-19 4.756846404579659e-19 4.90280469593706e-19 5.03208432853452e-19 5.1462714572397e-19 5.24666384512614e-19 5.33435097230496e-19 5.410262101223879e-19 5.47521434196624e-19 5.529880608718319e-19 5.57488575036738e-19 5.6107424634363e-19 5.63794742268162e-19 5.65693321579452e-19 5.66806834340082e-19 5.67170528436e-19 5.66776392984036e-19 5.6549945820673795e-19 5.631746999108039e-19 5.596002438403499e-19 5.54542172206812e-19 5.477088888628019e-19 5.387527214787419e-19 5.272474910699879e-19 5.1266928587722195e-19 4.94370826540308e-19 4.71546218212344e-19 4.431892939671779e-19 4.0802472120414597e-19 3.64426290639738e-19 3.1029995741331596e-19 2.42917214717178e-19 1.5868149644332077e-19 5.278563181909079e-20 -8.129812741541819e-20 -2.5257673764356396e-19 -4.7374760890746e-19 -7.63083085064886e-19 -1.1475958641650818e-18 -1.66844265958224e-18 -2.39057571205872e-18 -3.42114378834654e-18 -4.9463037915501595e-18 -7.31175737398776e-18 -1.1217335289390538e-17 -1.82539188264888e-17 ] } }