{ "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" [ "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" [ 9.74 9.087383 8.682918 8.389052 8.158109 7.967838 7.806036 7.665282 7.540724 7.429018 7.327758 7.235155 7.149846 7.070765 6.997064 6.928057 6.863183 6.801973 6.744036 6.689041 6.636701 6.586773 6.539045 6.49333 6.447114 6.399489 6.350365 6.299645 6.247222 6.192977 6.13678 6.078484 6.017927 5.954926 5.889275 5.820743 5.749063 5.673934 5.595006 5.511875 5.424067 5.331025 5.232085 5.126449 5.013143 4.890967 4.758412 4.613551 4.453862 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.740000000000002e-10 9.087383000000001e-10 8.682918000000001e-10 8.389052e-10 8.158109e-10 7.967838000000001e-10 7.806036e-10 7.665282000000001e-10 7.540724e-10 7.429018e-10 7.327758e-10 7.235155e-10 7.149846000000001e-10 7.070765e-10 6.997064e-10 6.928057e-10 6.863183e-10 6.801973000000001e-10 6.744036000000001e-10 6.689041e-10 6.636701000000001e-10 6.586773e-10 6.539045e-10 6.493330000000001e-10 6.447114000000001e-10 6.399489e-10 6.350365e-10 6.299645000000001e-10 6.247222e-10 6.192977e-10 6.13678e-10 6.078484e-10 6.017927000000001e-10 5.954926000000001e-10 5.889275e-10 5.820743000000001e-10 5.749063e-10 5.673934e-10 5.595006e-10 5.511875e-10 5.424067e-10 5.331025e-10 5.232085e-10 5.126449e-10 5.013143e-10 4.890967e-10 4.758412000000001e-10 4.6135510000000004e-10 4.4538620000000003e-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" [ 0.98149 1.4712 1.90159 2.29605 2.66477 3.01016 3.336 3.64228 3.92999 4.19968 4.45197 4.68735 4.90518 5.10536 5.28849 5.45428 5.60178 5.73068 5.84064 5.93132 6.00234 6.05329 6.08467 6.09526 6.08331 6.04332 5.96793 5.84828 5.67199 5.42369 5.08355 4.6257 4.01617 3.2102 2.14694 0.744276 -1.10954 -3.57367 -6.87199 -11.3251 -17.4096 -25.8415 -37.7345 -54.86 -80.1421 -118.608 -179.317 -279.577 -454.816 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5725203445046598e-19 2.3571222639408e-19 3.0466830654480594e-19 3.6786776604957e-19 4.2694322289841796e-19 4.82280801660144e-19 5.344861251023999e-19 5.83557591048552e-19 6.29653814985366e-19 6.72862916627712e-19 7.13284230926898e-19 7.5099626453799e-19 7.858964781564118e-19 8.17968850015824e-19 8.47309510714266e-19 8.73871997129352e-19 8.975041024808518e-19 9.18156159293112e-19 9.35773693560576e-19 9.50302231277688e-19 9.61680889732356e-19 9.69843979682586e-19 9.748716099600779e-19 9.765683150154839e-19 9.74653713937854e-19 9.682466095784878e-19 9.56167799934762e-19 9.369977565089518e-19 9.08752984628166e-19 8.68970938805946e-19 8.144745027770699e-19 7.4111884558937995e-19 6.434613732171779e-19 5.1433074304668e-19 3.4397771025999598e-19 1.192461616446984e-19 -1.77767906248836e-19 -5.725650571626779e-19 -1.101014180708166e-18 -1.81448105977134e-18 -2.78932543272864e-18 -4.1402647487511e-18 -6.045733419567299e-18 -8.789541014123999e-18 -1.284018000196914e-17 -1.90030966205472e-17 -2.87297507478978e-17 -4.47931736803818e-17 -7.286955679693439e-17 ] } }