{ "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" [ "Lr" "Lr" "Lr" "Lr" "Lr" "Lr" "Lr" "Lr" ] } "a" { "source-value" [ 10.7407 10.02103 9.575007 9.250948 8.996277 8.786456 8.60803 8.452814 8.315459 8.192276 8.080611 7.978494 7.88442 7.797214 7.71594 7.639843 7.568303 7.500805 7.436915 7.376269 7.318552 7.263494 7.210862 7.16045 7.126131 7.090012 7.051893 7.011539 6.968674 6.922962 6.873999 6.821287 6.764203 6.701956 6.633519 6.557524 6.47209 6.374537 6.260848 6.124607 5.954597 5.72836 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.07407e-09 1.002103e-09 9.575007e-10 9.250947999999999e-10 8.996276999999999e-10 8.786456e-10 8.60803e-10 8.452814e-10 8.315459000000001e-10 8.192276e-10 8.080610999999999e-10 7.978494000000001e-10 7.88442e-10 7.797214000000001e-10 7.715940000000001e-10 7.639843e-10 7.568303000000001e-10 7.500805e-10 7.436915e-10 7.376269e-10 7.318552e-10 7.263494e-10 7.210862e-10 7.16045e-10 7.126131e-10 7.090012e-10 7.051893e-10 7.011539e-10 6.968674e-10 6.922962e-10 6.873999000000001e-10 6.821287e-10 6.764203e-10 6.701956000000001e-10 6.633519e-10 6.557524e-10 6.47209e-10 6.374537e-10 6.260848000000001e-10 6.124607e-10 5.954597e-10 5.72836e-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" [ 0.645328 0.96731 1.25029 1.50966 1.75209 1.97919 2.19342 2.39481 2.58397 2.7613 2.92718 3.08195 3.22517 3.35679 3.4772 3.58621 3.68318 3.76794 3.84024 3.89986 3.94655 3.98005 4.00068 4.00765 4.00414 3.99234 3.96987 3.93361 3.87955 3.8019 3.69266 3.54066 3.32976 3.03594 2.62239 2.03065 1.16216 -0.157154 -2.26285 -5.87123 -12.7483 -28.4098 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0339294343476224e-19 1.549801467066048e-19 2.003185407220032e-19 2.418741957356928e-19 2.807157635537472e-19 3.171011946121152e-19 3.5142462435951363e-19 3.8369085932580485e-19 4.139976322848576e-19 4.42409030301504e-19 4.689859360873344e-19 4.93782823647456e-19 5.167291972105536e-19 5.378170458935233e-19 5.57108854584576e-19 5.745741819279168e-19 5.901104886198144e-19 6.036905376577152e-19 6.152742746260993e-19 6.248264516393088e-19 6.32307014281824e-19 6.376743059615041e-19 6.409795963302145e-19 6.420963134349121e-19 6.415339494410111e-19 6.396433810284672e-19 6.360432901615296e-19 6.302337977345088e-19 6.21572430922464e-19 6.09131529461952e-19 5.916293520563328e-19 5.672762674201728e-19 5.334863624875008e-19 4.864112090151552e-19 4.201531948619713e-19 3.2534599550275203e-19 1.8619855816289282e-19 -2.517884646652032e-20 -3.62548536637728e-19 -9.406747441339584e-19 -2.042502821494464e-18 -4.5517517361603845e-18 ] } }