{ "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" [ 4.30512 4.016661 3.837886 3.707996 3.605918 3.521818 3.450301 3.388087 3.333032 3.283658 3.2389 3.19797 3.160263 3.125308 3.092732 3.062231 3.033556 3.006501 2.980893 2.956585 2.933451 2.911382 2.890286 2.87008 2.849652 2.828602 2.806889 2.78447 2.761299 2.737323 2.712483 2.686716 2.659949 2.632103 2.603085 2.572793 2.54111 2.507903 2.473016 2.436272 2.39746 2.356335 2.312604 2.265912 2.21583 2.161828 2.103238 2.039208 1.968625 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3051199999999996e-10 4.016661e-10 3.8378860000000005e-10 3.7079960000000003e-10 3.605918e-10 3.521818e-10 3.4503010000000003e-10 3.3880870000000004e-10 3.333032e-10 3.2836580000000003e-10 3.2389e-10 3.1979700000000005e-10 3.160263e-10 3.125308e-10 3.092732e-10 3.062231e-10 3.033556e-10 3.006501e-10 2.9808930000000004e-10 2.9565850000000003e-10 2.933451e-10 2.9113820000000004e-10 2.890286e-10 2.87008e-10 2.849652e-10 2.828602e-10 2.806889e-10 2.78447e-10 2.7612990000000003e-10 2.737323e-10 2.7124830000000005e-10 2.686716e-10 2.6599490000000004e-10 2.632103e-10 2.6030850000000004e-10 2.572793e-10 2.54111e-10 2.507903e-10 2.473016e-10 2.4362720000000005e-10 2.3974600000000004e-10 2.356335e-10 2.312604e-10 2.265912e-10 2.21583e-10 2.1618279999999998e-10 2.1032380000000003e-10 2.039208e-10 1.968625e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.900185 1.34728 1.68269 1.95108 2.17542 2.36652 2.53539 2.68427 2.81491 2.92988 3.03118 3.11877 3.1916 3.25466 3.30883 3.35487 3.39342 3.42506 3.45076 3.47323 3.49013 3.50183 3.50865 3.51087 3.50884 3.5021 3.48929 3.46933 3.43995 3.40011 3.3484 3.28264 3.20018 3.09783 2.97163 2.81673 2.62713 2.39526 2.10999 1.75814 1.32537 0.790678 0.126129 -0.705227 -1.74767 -3.06777 -4.77103 -7.00317 -9.9703 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.44225537327729e-19 2.15858053545552e-19 2.69596660026546e-19 3.1259747870647195e-19 3.4854070931362796e-19 3.7915830478936797e-19 4.06214261607726e-19 4.30067467334718e-19 4.509983028812939e-19 4.69418527642392e-19 4.856485769448119e-19 4.99682042082018e-19 5.1135069450744e-19 5.21454020361444e-19 5.301330111878219e-19 5.37509432410758e-19 5.43685823334828e-19 5.48755110204804e-19 5.52872704154184e-19 5.564727950507819e-19 5.59180473562242e-19 5.61055020224022e-19 5.6214770468841e-19 5.6250338790115795e-19 5.62178146044456e-19 5.6109827899314e-19 5.590458907249859e-19 5.558479461635219e-19 5.5114075121283e-19 5.44757679502974e-19 5.3647282412856e-19 5.25936910583376e-19 5.12725362059412e-19 4.96327084210422e-19 4.76107615089342e-19 4.51289899028682e-19 4.20912630048042e-19 3.8376296043548397e-19 3.3805766759736596e-19 2.8168508273007597e-19 2.1234768454045797e-19 1.2668058166178518e-19 2.0208093666978597e-20 -1.129898221065918e-19 -2.80007603794278e-19 -4.915109412486179e-19 -7.644032786113019e-19 -1.1220315337929778e-18 -1.5974181693970198e-18 ] } }