{ "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" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.32006 4.0306 3.851204 3.720864 3.618432 3.53404 3.462274 3.399845 3.344599 3.295053 3.25014 3.209067 3.17123 3.136154 3.103465 3.072858 3.044083 3.016935 2.991238 2.966845 2.943631 2.921486 2.900316 2.88004 2.866236 2.851709 2.836376 2.820146 2.802904 2.784518 2.764825 2.743623 2.720663 2.695626 2.6681 2.637533 2.60317 2.563933 2.518205 2.463407 2.395026 2.30403 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.32006e-10 4.0306e-10 3.8512040000000003e-10 3.7208640000000005e-10 3.618432e-10 3.53404e-10 3.462274e-10 3.3998450000000004e-10 3.344599e-10 3.295053e-10 3.2501400000000003e-10 3.209067e-10 3.17123e-10 3.136154e-10 3.103465e-10 3.0728580000000004e-10 3.044083e-10 3.0169350000000005e-10 2.991238e-10 2.9668450000000004e-10 2.943631e-10 2.921486e-10 2.900316e-10 2.88004e-10 2.866236e-10 2.8517090000000004e-10 2.836376e-10 2.820146e-10 2.802904e-10 2.784518e-10 2.7648250000000003e-10 2.743623e-10 2.7206630000000003e-10 2.695626e-10 2.6681e-10 2.637533e-10 2.60317e-10 2.563933e-10 2.518205e-10 2.463407e-10 2.395026e-10 2.30403e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.859617 1.31725 1.69045 2.00763 2.28291 2.5247 2.73873 2.92898 3.0985 3.24964 3.38427 3.50394 3.60991 3.7033 3.78492 3.85591 3.91627 3.96749 4.00951 4.04299 4.06856 4.08614 4.09655 4.10002 4.09836 4.09294 4.08285 4.06699 4.04391 4.01176 3.96807 3.9097 3.8333 3.73457 3.60763 3.44409 3.23148 2.95031 2.56754 2.02298 1.18999 -0.253311 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3772582602422335e-19 2.1104671537488e-19 2.70839946863136e-19 3.216577849216704e-19 3.6576250293905285e-19 4.0450153145337605e-19 4.387929176683584e-19 4.692743278790784e-19 4.9643442595488e-19 5.206497234016512e-19 5.422198272474816e-19 5.613930748685953e-19 5.783713405192129e-19 5.93334067980864e-19 6.064110335598336e-19 6.177848853908929e-19 6.274556234740416e-19 6.356619721257793e-19 6.423943182863808e-19 6.477584056128191e-19 6.518551712322048e-19 6.5467179773157125e-19 6.56339663593824e-19 6.568956188812416e-19 6.566296575621888e-19 6.557612778337152e-19 6.54144681623328e-19 6.516036295027392e-19 6.479058058619329e-19 6.427548080260608e-19 6.357548983697856e-19 6.26402993434176e-19 6.141623640512641e-19 5.983440742741057e-19 5.780060442496705e-19 5.518040477931072e-19 5.177401706582784e-19 4.7269177061124485e-19 4.1136525609688325e-19 3.2411712603459844e-19 1.9065741569857922e-19 -4.0584896199146885e-20 ] } }