{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 9.39973 8.769914 8.379579 8.09598 7.873106 7.689482 7.533333 7.397497 7.277291 7.169488 7.071765 6.982398 6.900069 6.823751 6.752625 6.686029 6.623421 6.56435 6.508437 6.455363 6.404852 6.356669 6.310608 6.26649 6.236456 6.204846 6.171485 6.13617 6.098656 6.058651 6.015801 5.96967 5.919712 5.865237 5.805344 5.738836 5.664069 5.578694 5.479199 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.39973e-10 8.769914e-10 8.379579e-10 8.095980000000002e-10 7.873106e-10 7.689482000000001e-10 7.533333e-10 7.397497000000001e-10 7.277291000000001e-10 7.169488e-10 7.071765000000001e-10 6.982398e-10 6.900069e-10 6.823751e-10 6.752625000000001e-10 6.686029e-10 6.623421e-10 6.56435e-10 6.508437e-10 6.455363000000001e-10 6.404852e-10 6.356669000000001e-10 6.310608e-10 6.26649e-10 6.236456000000001e-10 6.204846e-10 6.171485e-10 6.13617e-10 6.098656e-10 6.058651000000001e-10 6.015801e-10 5.96967e-10 5.919711999999999e-10 5.865237e-10 5.805344e-10 5.738836e-10 5.664069e-10 5.578694e-10 5.479199000000001e-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 2.59391 3.68466 3.98475 4.33401 4.64581 4.76297 4.95508 5.10859 5.18753 5.25383 5.33287 5.42323 5.51981 5.6204 5.70517 5.75732 5.78096 5.79066 5.79548 5.80042 5.80666 5.81267 5.81535 5.81354 5.80647 5.79178 5.76809 5.73558 5.69717 5.64839 5.58134 5.49614 5.38852 5.26645 5.08991 4.84693 4.56983 4.30479 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 4.1559019584593287e-19 5.903476107596929e-19 6.384273289732801e-19 6.943849496313408e-19 7.443408166678848e-19 7.631119179571776e-19 7.938913330193664e-19 8.184863463252673e-19 8.311339285698624e-19 8.417563595657664e-19 8.544199635765697e-19 8.688972315221186e-19 8.843710533258048e-19 9.00487347954432e-19 9.140689991689536e-19 9.224243502464256e-19 9.26211895777997e-19 9.277660071001728e-19 9.285382562313984e-19 9.293297314820737e-19 9.303294896934527e-19 9.312923978425536e-19 9.31721781176928e-19 9.314317872085632e-19 9.302990483376577e-19 9.279454508817025e-19 9.241498944670272e-19 9.189412182728064e-19 9.127872578723137e-19 9.049718403160513e-19 8.942292460735872e-19 8.805787012643712e-19 8.633360764713216e-19 8.43778306461216e-19 8.154934803976128e-19 7.765637928654145e-19 7.321674787030464e-19 6.897033895453632e-19 ] } }