{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.72203 4.405637 4.209549 4.06708 3.955117 3.862872 3.78443 3.716191 3.655805 3.601649 3.552557 3.507663 3.466304 3.427965 3.392234 3.358779 3.327327 3.297652 3.269564 3.242902 3.217527 3.193322 3.170183 3.14802 3.132932 3.117053 3.100294 3.082553 3.063708 3.043611 3.022085 2.998911 2.973815 2.946449 2.916362 2.882951 2.845391 2.802503 2.752521 2.692625 2.617882 2.51842 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.72203e-10 4.4056369999999997e-10 4.209549e-10 4.06708e-10 3.9551170000000004e-10 3.862872e-10 3.78443e-10 3.716191e-10 3.655805e-10 3.6016490000000004e-10 3.5525570000000005e-10 3.5076630000000003e-10 3.466304e-10 3.427965e-10 3.3922340000000004e-10 3.3587790000000004e-10 3.327327e-10 3.297652e-10 3.269564e-10 3.242902e-10 3.2175270000000003e-10 3.1933220000000005e-10 3.1701830000000003e-10 3.14802e-10 3.132932e-10 3.117053e-10 3.100294e-10 3.082553e-10 3.0637080000000005e-10 3.043611e-10 3.022085e-10 2.998911e-10 2.973815e-10 2.946449e-10 2.916362e-10 2.882951e-10 2.845391e-10 2.8025030000000003e-10 2.7525210000000005e-10 2.6926250000000003e-10 2.617882e-10 2.51842e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.45641 1.80552 1.99532 2.17588 2.35056 2.508 2.65449 2.77261 2.86813 2.94796 3.01456 3.06854 3.11196 3.14744 3.17729 3.20194 3.22324 3.24463 3.26329 3.27815 3.28913 3.29669 3.30155 3.30326 3.30236 3.29929 3.29336 3.28368 3.26909 3.2481 3.2186 3.17781 3.12302 3.05 2.95213 2.81949 2.63641 2.37882 2.00862 1.45632 0.559459 -1.11678 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.333426052299328e-19 2.892761932386816e-19 3.196855055014656e-19 3.486144065666304e-19 3.7660122777876484e-19 4.0182589649664e-19 4.2529618181473925e-19 4.442210920596288e-19 4.595250831415104e-19 4.723152591053568e-19 4.829857553998848e-19 4.916343047989632e-19 4.985909556864768e-19 5.042754783370752e-19 5.090579755501633e-19 5.130073409204352e-19 5.164199771227392e-19 5.198470329146304e-19 5.228366944890432e-19 5.252175289475521e-19 5.269767188771905e-19 5.281879644025152e-19 5.289666222402241e-19 5.292405944423808e-19 5.290963985465088e-19 5.286045303239232e-19 5.276544395877888e-19 5.261035326188544e-19 5.237659569291072e-19 5.20402988202048e-19 5.15676567170688e-19 5.091412887344448e-19 5.003629630290816e-19 4.88663869344e-19 4.729833667562304e-19 4.517320960579393e-19 4.2239944648433285e-19 3.8112897890914564e-19 3.2181640040712965e-19 2.3332818564034564e-19 8.963521300961473e-20 -1.7892788065770243e-19 ] } }