{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.30525 4.016783 3.838003 3.708109 3.606029 3.521926 3.450407 3.388191 3.333135 3.283759 3.239 3.198069 3.160361 3.125405 3.092828 3.062326 3.033651 3.006595 2.980986 2.956677 2.933542 2.911474 2.890377 2.87017 2.849742 2.82869 2.806977 2.784557 2.761385 2.737408 2.712568 2.6868 2.660032 2.632184 2.603166 2.572873 2.541189 2.50798 2.473093 2.436347 2.397534 2.356408 2.312674 2.265981 2.215897 2.161893 2.103301 2.039269 1.968683 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30525e-10 4.0167830000000003e-10 3.838003e-10 3.708109e-10 3.606029e-10 3.521926e-10 3.450407e-10 3.388191e-10 3.333135e-10 3.283759e-10 3.239e-10 3.198069e-10 3.160361e-10 3.1254050000000004e-10 3.092828e-10 3.0623260000000004e-10 3.033651e-10 3.006595e-10 2.980986e-10 2.956677e-10 2.933542e-10 2.911474e-10 2.890377e-10 2.87017e-10 2.849742e-10 2.82869e-10 2.806977e-10 2.784557e-10 2.7613850000000003e-10 2.7374079999999997e-10 2.712568e-10 2.6868e-10 2.6600320000000005e-10 2.632184e-10 2.603166e-10 2.572873e-10 2.541189e-10 2.50798e-10 2.4730930000000003e-10 2.436347e-10 2.3975339999999997e-10 2.356408e-10 2.312674e-10 2.265981e-10 2.2158970000000001e-10 2.1618930000000001e-10 2.1033010000000002e-10 2.039269e-10 1.9686830000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.900112 1.34715 1.6826 1.95105 2.17547 2.36665 2.53553 2.68438 2.81497 2.92989 3.03112 3.11872 3.19163 3.2548 3.30908 3.35523 3.39391 3.42568 3.45144 3.47397 3.49088 3.50259 3.50942 3.51164 3.5096 3.50282 3.48996 3.46995 3.44055 3.40071 3.349 3.28323 3.20076 3.09839 2.97216 2.81723 2.62758 2.39564 2.1115 1.76169 1.3265 0.780709 0.0895812 -0.794766 -1.93537 -3.42989 -5.43374 -8.14474 -11.4422 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.442138414383008e-19 2.1583722524931e-19 2.6958224043684e-19 3.1259267217656998e-19 3.4854872019679793e-19 3.7917913308561e-19 4.06236692080602e-19 4.3008509127769195e-19 4.51007915941098e-19 4.69420129819026e-19 4.85638963885008e-19 4.99674031198848e-19 5.11355501037342e-19 5.2147645083432e-19 5.30173065603672e-19 5.37567110769582e-19 5.43764329989894e-19 5.48854445156112e-19 5.52981652165296e-19 5.56591356121698e-19 5.59300636809792e-19 5.611767856482059e-19 5.62271072289228e-19 5.626267555019759e-19 5.6229991146864e-19 5.61213635710788e-19 5.5915323655946395e-19 5.559472811148299e-19 5.512368818108699e-19 5.44853810101014e-19 5.365689547266e-19 5.26031439004782e-19 5.12818288304184e-19 4.96416806101926e-19 4.761925304509439e-19 4.513700078603819e-19 4.2098472799657196e-19 3.83823843147576e-19 3.3829959626909997e-19 2.8225385543514596e-19 2.1252873050009998e-19 1.2508337177535058e-19 1.435249054856808e-20 -1.273355514697644e-19 -3.10080459214458e-19 -5.495289615190259e-19 -8.70581126323116e-19 -1.304931211800516e-18 -1.8332425481554798e-18 ] } }