{ "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" [ "Si" "Si" ] } "a" { "source-value" [ 4.98625 4.652153 4.445094 4.294654 4.176426 4.07902 3.996188 3.924132 3.860367 3.803181 3.751342 3.703935 3.660263 3.619778 3.582048 3.546721 3.51351 3.482175 3.452515 3.424361 3.397567 3.372007 3.347573 3.32417 3.300511 3.276129 3.250981 3.225016 3.198179 3.170409 3.141639 3.111796 3.080794 3.048542 3.014933 2.979849 2.943154 2.904692 2.864286 2.821728 2.776776 2.729145 2.678494 2.624415 2.56641 2.503864 2.436004 2.361845 2.280094 2.189019 2.086217 1.968212 1.829718 1.66209 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.98625e-10 4.652153e-10 4.445094e-10 4.2946540000000005e-10 4.176426e-10 4.07902e-10 3.9961880000000004e-10 3.9241320000000003e-10 3.8603670000000003e-10 3.803181e-10 3.751342e-10 3.7039350000000003e-10 3.6602630000000004e-10 3.6197780000000005e-10 3.582048e-10 3.5467209999999997e-10 3.5135100000000004e-10 3.482175e-10 3.4525150000000004e-10 3.4243610000000006e-10 3.397567e-10 3.372007e-10 3.347573e-10 3.32417e-10 3.3005110000000005e-10 3.276129e-10 3.250981e-10 3.225016e-10 3.1981790000000004e-10 3.170409e-10 3.1416390000000003e-10 3.1117960000000003e-10 3.080794e-10 3.048542e-10 3.0149330000000003e-10 2.9798490000000005e-10 2.943154e-10 2.904692e-10 2.864286e-10 2.821728e-10 2.776776e-10 2.729145e-10 2.6784940000000003e-10 2.624415e-10 2.56641e-10 2.5038640000000004e-10 2.436004e-10 2.3618450000000004e-10 2.280094e-10 2.1890190000000003e-10 2.086217e-10 1.9682120000000002e-10 1.829718e-10 1.66209e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0.786686 1.70568 2.002 2.26399 2.50956 2.77814 3.05799 3.29946 3.46828 3.55753 3.60266 3.64828 3.70429 3.77762 3.87166 3.96686 4.0551 4.13166 4.18972 4.22981 4.2529 4.26027 4.25268 4.22908 4.18849 4.13047 4.05528 3.96412 3.85928 3.74439 3.62444 3.50574 3.37094 3.19602 2.97121 2.684 2.31818 1.85249 1.25874 0.498976 -0.47856 -1.74551 -3.40328 -5.59922 -8.55293 -13.0806 -20.4681 -31.3128 -45.8188 -71.5019 -120.753 -206.999 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 1.260409927494924e-19 2.73280064108112e-19 3.2075576212679994e-19 3.62731187760966e-19 4.02075839362104e-19 4.451070993980759e-19 4.89944012500566e-19 5.286317716817639e-19 5.55679717616952e-19 5.69979144075402e-19 5.77209767224644e-19 5.84518897028952e-19 5.93492688355986e-19 6.05241449613108e-19 6.203083186792439e-19 6.35561040234924e-19 6.4969864685334e-19 6.61964911163244e-19 6.71267148700248e-19 6.776902748259539e-19 6.8138970067386e-19 6.82570504853118e-19 6.813544527879119e-19 6.775733159316719e-19 6.7107008097426595e-19 6.617742521437979e-19 6.497274860327519e-19 6.35122043837208e-19 6.18324824006352e-19 5.999174166583259e-19 5.806993079334959e-19 5.61681471287916e-19 5.40084130261596e-19 5.120588565796679e-19 4.76040323670714e-19 4.300242085656e-19 3.7141338294061198e-19 2.96801619271866e-19 2.0167238162811598e-19 7.994476881267839e-20 -7.667376499670399e-20 -2.7966153364133394e-19 -5.452655694959519e-19 -8.970939452625479e-19 -1.370330459823762e-18 -2.09574316787004e-18 -3.2793511562375397e-18 -5.01686365051152e-18 -7.34098107579192e-18 -1.145586734666046e-17 -1.93467635085402e-17 -3.3164896106136594e-17 ] } }