{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 9.07463 8.466596 8.08976 7.815969 7.600803 7.42353 7.272781 7.141642 7.025594 6.921519 6.827176 6.740899 6.661418 6.587739 6.519072 6.45478 6.394337 6.337309 6.28333 6.232091 6.183327 6.13681 6.092342 6.04975 6.006692 5.96232 5.916551 5.869296 5.820454 5.769915 5.717557 5.663244 5.606823 5.548126 5.48696 5.423109 5.356327 5.28633 5.212794 5.135341 5.053532 4.966846 4.874665 4.776245 4.67068 4.55685 4.43335 4.298385 4.149605 3.983855 3.796761 3.582002 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.074630000000001e-10 8.466595999999999e-10 8.08976e-10 7.815969e-10 7.600803e-10 7.423530000000001e-10 7.272781e-10 7.141642e-10 7.025594e-10 6.921519e-10 6.827176e-10 6.740899e-10 6.661418000000001e-10 6.587739e-10 6.519072000000001e-10 6.454780000000001e-10 6.394337000000001e-10 6.337309e-10 6.283330000000001e-10 6.232091e-10 6.183327e-10 6.13681e-10 6.092342000000001e-10 6.049750000000001e-10 6.006692e-10 5.96232e-10 5.916551e-10 5.869296e-10 5.820454e-10 5.769915000000001e-10 5.717557000000001e-10 5.663244e-10 5.606823000000001e-10 5.548126e-10 5.48696e-10 5.423109e-10 5.356327000000001e-10 5.286330000000001e-10 5.212794e-10 5.135341e-10 5.053532e-10 4.966846e-10 4.874665e-10 4.776245e-10 4.67068e-10 4.55685e-10 4.43335e-10 4.2983849999999997e-10 4.1496050000000004e-10 3.983855e-10 3.796761e-10 3.5820020000000003e-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" [ 0.75873 1.12262 1.4521 1.72882 1.96003 2.16137 2.34213 2.50712 2.65766 2.79329 2.91373 3.01967 3.1123 3.19289 3.26259 3.32233 3.37292 3.41504 3.4493 3.47626 3.49644 3.51031 3.51834 3.52093 3.51819 3.50942 3.49372 3.47003 3.43712 3.39362 3.33798 3.26858 3.18359 3.08032 2.95519 2.8038 2.62064 2.39873 2.12837 1.79687 1.38857 0.883258 0.254033 -0.536914 -1.54595 -2.85751 -4.59744 -6.96087 -10.2572 -15.0059 -22.1593 -33.6002 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.21561947751482e-19 1.7986355328610797e-19 2.3265206902313996e-19 2.76987500839188e-19 3.14031426793902e-19 3.4628965114285796e-19 3.75250595979042e-19 4.01684908263408e-19 4.2580407531164394e-19 4.475343969985859e-19 4.66831012378482e-19 4.838044716390779e-19 4.9864543379982e-19 5.11557375293226e-19 5.227245464322059e-19 5.32295949643722e-19 5.40401361235128e-19 5.4714972921753595e-19 5.5263878636562e-19 5.569582545708839e-19 5.60191447018296e-19 5.62413666009654e-19 5.63700213846756e-19 5.64115177594962e-19 5.63676181197246e-19 5.62271072289228e-19 5.59755654973848e-19 5.559600985279019e-19 5.50687335225408e-19 5.437178668675079e-19 5.34803356075932e-19 5.23684250235972e-19 5.10067351023606e-19 4.935216729242879e-19 4.73473636703046e-19 4.492182846409199e-19 4.1987281741257597e-19 3.8431891572748196e-19 3.4100246825065794e-19 2.8789031283355796e-19 2.22473440867338e-19 1.4151353293935718e-19 4.07005736864922e-20 -8.60231065267476e-20 -2.4768849673323e-19 -4.578235753421339e-19 -7.36591094421696e-19 -1.115254326631158e-18 -1.6433846170264798e-18 -2.40421023521406e-18 -3.55031126857962e-18 -5.38334553377268e-18 ] } }