{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.12937 7.584672 7.24709 7.001819 6.809065 6.650258 6.515212 6.397734 6.293774 6.20054 6.116024 6.038735 5.967533 5.901528 5.840015 5.782419 5.728272 5.677185 5.628829 5.582927 5.539243 5.497571 5.457735 5.41958 5.393605 5.366267 5.337415 5.306873 5.274428 5.23983 5.202771 5.162874 5.119668 5.072555 5.020757 4.963237 4.898574 4.824738 4.738689 4.635572 4.506894 4.33566 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.12937e-10 7.584672000000001e-10 7.247090000000001e-10 7.001819e-10 6.809065000000001e-10 6.650258e-10 6.515212e-10 6.397734e-10 6.293774000000001e-10 6.200540000000001e-10 6.116024000000001e-10 6.038735e-10 5.967533e-10 5.901528e-10 5.840015e-10 5.782419e-10 5.728272e-10 5.677185e-10 5.628829e-10 5.582927e-10 5.539243e-10 5.497571e-10 5.457734999999999e-10 5.41958e-10 5.393605e-10 5.366267e-10 5.337415e-10 5.306873e-10 5.274428000000001e-10 5.239830000000001e-10 5.202771000000001e-10 5.162874000000001e-10 5.119668000000001e-10 5.072555000000001e-10 5.020757e-10 4.963237e-10 4.898574e-10 4.824738000000001e-10 4.738689e-10 4.635572e-10 4.506894e-10 4.33566e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.24638 1.77104 2.16182 2.47581 2.73591 2.95671 3.14728 3.31366 3.46457 3.59908 3.71922 3.8267 3.92287 4.00853 4.08085 4.14381 4.19832 4.2448 4.28358 4.31492 4.33905 4.35612 4.36628 4.36965 4.36799 4.36245 4.35204 4.33546 4.31138 4.27729 4.23002 4.16533 4.07726 3.95644 3.79037 3.56015 3.23503 2.76449 2.05778 0.939742 -0.967034 -4.61633 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9969208966327042e-19 2.8375188825016323e-19 3.4636174623778563e-19 3.9666848995428484e-19 4.383411038612929e-19 4.737171636485568e-19 5.042498435111424e-19 5.309068581280128e-19 5.550853055125056e-19 5.766361832388864e-19 5.958847331611776e-19 6.131049274815361e-19 6.285130600437696e-19 6.422373049775425e-19 6.53824246299168e-19 6.639115503037249e-19 6.726450150637056e-19 6.80091931997184e-19 6.863051729326464e-19 6.913263944622336e-19 6.9519244664822405e-19 6.979273621399296e-19 6.995551735866624e-19 7.00095107107872e-19 6.998291457888192e-19 6.98941539940896e-19 6.972736740786432e-19 6.946172652413569e-19 6.907592239384704e-19 6.852974038381632e-19 6.777239149516416e-19 6.673594343916865e-19 6.532490648923009e-19 6.338915669597953e-19 6.072842198181696e-19 5.703989096541121e-19 5.183089433586625e-19 4.429201246435392e-19 3.2969270067498243e-19 1.5056326619838335e-19 -1.5493592663187072e-19 -7.396175999897663e-19 ] } }