{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 6.66599 6.219343 5.94253 5.74141 5.583354 5.453134 5.342397 5.246066 5.16082 5.084369 5.015067 4.951691 4.893305 4.839183 4.788742 4.741514 4.697115 4.655223 4.615572 4.577933 4.542112 4.507942 4.475277 4.44399 4.422691 4.400274 4.376616 4.351571 4.324968 4.296597 4.266209 4.233494 4.198066 4.159434 4.11696 4.069795 4.016772 3.956228 3.885669 3.801114 3.6956 3.55519 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.66599e-10 6.219343000000001e-10 5.94253e-10 5.741410000000001e-10 5.583354e-10 5.453134000000001e-10 5.342397e-10 5.246066e-10 5.160820000000001e-10 5.084369e-10 5.015067e-10 4.951691000000001e-10 4.893305e-10 4.839183e-10 4.788742e-10 4.741514e-10 4.697115e-10 4.6552230000000007e-10 4.6155720000000004e-10 4.577933e-10 4.5421120000000005e-10 4.507942e-10 4.4752770000000005e-10 4.4439900000000003e-10 4.4226910000000004e-10 4.400274e-10 4.3766160000000006e-10 4.351571e-10 4.324968e-10 4.2965970000000005e-10 4.266209e-10 4.2334940000000006e-10 4.198066e-10 4.159434e-10 4.11696e-10 4.069795e-10 4.016772e-10 3.956228e-10 3.8856690000000003e-10 3.8011140000000003e-10 3.6956e-10 3.55519e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 2.35092 3.11481 3.65413 4.06881 4.40169 4.60794 4.84399 5.04861 5.22443 5.37615 5.50735 5.62083 5.71883 5.80317 5.87535 5.93664 5.98809 6.03064 6.06506 6.09204 6.11219 6.12602 6.13402 6.1366 6.13537 6.13134 6.12393 6.11241 6.09585 6.07307 6.04253 6.00219 5.94933 5.88019 5.78951 5.66962 5.509 5.28954 4.98099 4.52889 3.82412 2.60993 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.7665890924032794e-19 4.990475801349539e-19 5.854561703598419e-19 6.51895231018554e-19 7.05228486811146e-19 7.38273379887396e-19 7.760927593329659e-19 8.08876497617874e-19 8.370459671968619e-19 8.6135419108791e-19 8.8237474852599e-19 9.00556248968622e-19 9.162575799818218e-19 9.29770337712978e-19 9.4133484865719e-19 9.511545892469758e-19 9.593977880289058e-19 9.66215049606576e-19 9.71729741580804e-19 9.760524141393358e-19 9.79280800056846e-19 9.814966103416679e-19 9.82778351648868e-19 9.831917132204399e-19 9.829946454944578e-19 9.823489683109559e-19 9.811617554251619e-19 9.793160479427938e-19 9.7666284343689e-19 9.73013085064638e-19 9.681200376244019e-19 9.616568570828458e-19 9.53187751395522e-19 9.421103021480459e-19 9.27581764430934e-19 9.08373268765908e-19 8.826391076706e-19 8.474777392608359e-19 7.98042579218766e-19 7.256081735956259e-19 6.12691570961208e-19 4.1815688623756196e-19 ] } }