{ "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" [ 6.4044 5.975282 5.709331 5.516104 5.364251 5.239141 5.13275 5.040199 4.958299 4.884848 4.818266 4.757376 4.701283 4.649284 4.600823 4.555448 4.512791 4.472544 4.434448 4.398287 4.363872 4.331042 4.299659 4.2696 4.239212 4.207896 4.175595 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.4044e-10 5.975282e-10 5.709331e-10 5.516104e-10 5.364251000000001e-10 5.239141000000001e-10 5.13275e-10 5.040199000000001e-10 4.958299e-10 4.884848e-10 4.818266e-10 4.757376e-10 4.701283e-10 4.6492839999999997e-10 4.6008230000000004e-10 4.5554480000000004e-10 4.5127910000000004e-10 4.4725440000000004e-10 4.434448e-10 4.398287e-10 4.3638719999999997e-10 4.3310420000000003e-10 4.2996590000000005e-10 4.2696e-10 4.2392120000000004e-10 4.207896e-10 4.1755950000000005e-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" [ 0.286657 0.429682 0.555384 0.670593 0.77828 0.879158 0.974322 1.06378 1.1478 1.22657 1.30025 1.369 1.43262 1.49108 1.54457 1.59299 1.63607 1.67371 1.70583 1.73231 1.75305 1.76793 1.77709 1.78019 1.7767 1.76502 1.74299 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.5927514737253794e-20 6.884264604503879e-20 8.89823267697456e-20 1.0744084355239619e-19 1.24694203070952e-19 1.4085664051941719e-19 1.561035942392148e-19 1.7043634597165198e-19 1.8389783405051997e-19 1.9651817939653799e-19 2.0832301683584996e-19 2.1933798119459997e-19 2.29531028940108e-19 2.3889735354247196e-19 2.47467396357738e-19 2.5522513561956598e-19 2.6212731255883797e-19 2.68157905409214e-19 2.73304096757622e-19 2.7754666048445397e-19 2.8086957482337e-19 2.83253613654762e-19 2.84721207451506e-19 2.8521788220804595e-19 2.8465872256277997e-19 2.82787380254268e-19 2.79257785129566e-19 ] } }