{ "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" [ 5.45864 5.09289 4.866213 4.70152 4.572092 4.465457 4.374777 4.295894 4.226087 4.163483 4.106733 4.054835 4.007025 3.962705 3.9214 3.882727 3.846369 3.812065 3.779595 3.748773 3.71944 3.691459 3.66471 3.63909 3.613189 3.586498 3.558967 3.530542 3.501162 3.470761 3.439266 3.406595 3.372656 3.337348 3.300555 3.262147 3.221975 3.17987 3.135636 3.089046 3.039835 2.987691 2.932241 2.873039 2.809538 2.741066 2.666777 2.585591 2.496096 2.396392 2.28385 2.154665 2.003049 1.81954 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.45864e-10 5.09289e-10 4.866213e-10 4.701520000000001e-10 4.5720919999999997e-10 4.465457e-10 4.374777e-10 4.295894e-10 4.226087e-10 4.1634830000000004e-10 4.1067330000000006e-10 4.054835e-10 4.007025e-10 3.962705e-10 3.9214000000000005e-10 3.8827270000000003e-10 3.846369e-10 3.8120650000000004e-10 3.779595e-10 3.748773e-10 3.7194400000000004e-10 3.691459e-10 3.66471e-10 3.6390900000000003e-10 3.613189e-10 3.5864980000000004e-10 3.558967e-10 3.5305420000000003e-10 3.501162e-10 3.470761e-10 3.439266e-10 3.406595e-10 3.372656e-10 3.337348e-10 3.300555e-10 3.262147e-10 3.221975e-10 3.1798700000000003e-10 3.135636e-10 3.089046e-10 3.039835e-10 2.987691e-10 2.932241e-10 2.873039e-10 2.809538e-10 2.741066e-10 2.6667770000000005e-10 2.585591e-10 2.496096e-10 2.396392e-10 2.2838500000000003e-10 2.154665e-10 2.0030489999999998e-10 1.81954e-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" [ 1.03145 1.29817 1.5511 1.76893 1.95952 2.11737 2.25121 2.3734 2.49123 2.60629 2.71654 2.81812 2.90754 2.98322 3.04608 3.09911 3.14494 3.18418 3.21655 3.24192 3.26064 3.27335 3.28072 3.28312 3.28073 3.27276 3.25628 3.22836 3.18668 3.12891 3.05283 2.95672 2.83995 2.70286 2.54534 2.3661 2.16229 1.92895 1.65903 1.34237 0.963835 0.50807 -0.0473335 -0.758005 -1.74837 -3.29949 -6.08711 -11.7769 -23.942 -48.8845 -105.309 -253.793 -737.812 -2915.95 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6525650891392998e-19 2.0798976409597799e-19 2.4851361769973997e-19 2.83413831318162e-19 3.1394971578556796e-19 3.3924007395325803e-19 3.60683606022714e-19 3.8026060231356e-19 3.9913904959198197e-19 4.17573693942786e-19 4.35237691332636e-19 4.51512601580808e-19 4.65839265042036e-19 4.77964537808148e-19 4.88035820129472e-19 4.96532162819574e-19 5.03874938333196e-19 5.1016187944501195e-19 5.1534812520927e-19 5.19412847329728e-19 5.224121219885759e-19 5.2444848849039e-19 5.256292926696479e-19 5.260138150618079e-19 5.25630894846282e-19 5.24353960068984e-19 5.21713572976152e-19 5.1724029581402395e-19 5.105624236035119e-19 5.01306649188894e-19 4.89117289357422e-19 4.737187697280479e-19 4.5501015317283e-19 4.3304591369732395e-19 4.0780842735855595e-19 3.7909101337073997e-19 3.46437051393186e-19 3.0905186181543e-19 2.65805910110502e-19 2.15071384818258e-19 1.5442339160313898e-19 8.140178824363799e-20 -7.5836627705439e-21 -1.21445789945517e-19 -2.80119756158658e-19 -5.28636578211666e-19 -9.752625410587739e-19 -1.88686740009546e-18 -3.8359312971228e-18 -7.8321603664773e-18 -1.6872361914990598e-17 -4.06621214472762e-17 -1.182105146684808e-16 -4.6718669559123e-16 ] } }