{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Sn" "Sn" ] } "a" { "source-value" [ 5.62843 5.251305 5.017578 4.847763 4.714309 4.604358 4.510858 4.429521 4.357544 4.292992 4.234477 4.180966 4.131668 4.08597 4.043381 4.003504 3.966015 3.930644 3.897165 3.865384 3.835139 3.806288 3.778707 3.75229 3.734306 3.715378 3.695403 3.674256 3.651793 3.627839 3.602181 3.574558 3.544644 3.512025 3.476162 3.436338 3.391568 3.340447 3.28087 3.209476 3.120385 3.00183 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.62843e-10 5.251305000000001e-10 5.017578000000001e-10 4.847763e-10 4.714309000000001e-10 4.6043580000000007e-10 4.510858e-10 4.4295210000000005e-10 4.3575440000000003e-10 4.292992e-10 4.234477e-10 4.180966e-10 4.1316680000000005e-10 4.08597e-10 4.0433810000000004e-10 4.0035040000000004e-10 3.966015e-10 3.930644e-10 3.8971650000000005e-10 3.8653840000000005e-10 3.835139e-10 3.806288e-10 3.7787069999999997e-10 3.75229e-10 3.734306e-10 3.715378e-10 3.6954030000000004e-10 3.6742560000000004e-10 3.651793e-10 3.627839e-10 3.602181e-10 3.5745580000000003e-10 3.544644e-10 3.512025e-10 3.476162e-10 3.436338e-10 3.391568e-10 3.340447e-10 3.2808700000000003e-10 3.209476e-10 3.1203850000000003e-10 3.00183e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.808174 1.15255 1.42272 1.65467 1.84752 2.01522 2.16251 2.29267 2.40811 2.51065 2.6017 2.68242 2.75376 2.81649 2.87128 2.91872 2.95929 2.99342 3.0215 3.04387 3.06083 3.07265 3.07959 3.08185 3.08075 3.07713 3.07041 3.05984 3.04447 3.02306 2.99396 2.95498 2.90306 2.83397 2.74156 2.61671 2.44525 2.20417 1.85359 1.31837 0.439341 -1.18644 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2948374990063157e-19 1.8465886795166999e-19 2.2794487407244797e-19 2.65107361098078e-19 2.96005337484768e-19 3.2287383963694794e-19 3.46472299279134e-19 3.67326230347278e-19 3.85821757410174e-19 4.0225047661521e-19 4.1683829486778e-19 4.2977106465742796e-19 4.41200992764384e-19 4.51251446789466e-19 4.60029772567152e-19 4.676304985188479e-19 4.74130529122986e-19 4.79598757974828e-19 4.840976699631e-19 4.87681739093358e-19 4.90399030664622e-19 4.9229280344601e-19 4.93404714030006e-19 4.9376680594929e-19 4.935905665195499e-19 4.9301057857804195e-19 4.919339158799939e-19 4.902404151778559e-19 4.877778696913979e-19 4.84347609518004e-19 4.79685275513064e-19 4.73439990993732e-19 4.651214899100039e-19 4.540520515456979e-19 4.39246337270904e-19 4.1924316199541396e-19 3.9177224142885e-19 3.5314696713637795e-19 2.96977858701606e-19 2.11226160896658e-19 7.039018845581939e-20 -1.90088644564296e-19 ] } }