{ "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" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.40785 4.112508 3.929468 3.796479 3.691965 3.605858 3.532635 3.468936 3.412568 3.362016 3.31619 3.274283 3.235676 3.199888 3.166535 3.135306 3.105947 3.078246 3.052027 3.027139 3.003453 2.980858 2.959258 2.93857 2.917655 2.896102 2.873871 2.850917 2.827193 2.802644 2.777212 2.75083 2.723424 2.694913 2.665203 2.634188 2.601749 2.567749 2.53203 2.494408 2.45467 2.412564 2.367788 2.319982 2.268705 2.213414 2.153426 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.40785e-10 4.112508e-10 3.929468e-10 3.7964790000000003e-10 3.6919650000000005e-10 3.605858e-10 3.532635e-10 3.468936e-10 3.412568e-10 3.3620160000000003e-10 3.3161900000000003e-10 3.274283e-10 3.235676e-10 3.1998880000000003e-10 3.166535e-10 3.135306e-10 3.105947e-10 3.078246e-10 3.0520269999999997e-10 3.0271390000000004e-10 3.003453e-10 2.980858e-10 2.9592580000000004e-10 2.93857e-10 2.917655e-10 2.896102e-10 2.873871e-10 2.850917e-10 2.827193e-10 2.802644e-10 2.777212e-10 2.75083e-10 2.723424e-10 2.694913e-10 2.665203e-10 2.634188e-10 2.601749e-10 2.567749e-10 2.53203e-10 2.494408e-10 2.45467e-10 2.4125640000000004e-10 2.367788e-10 2.319982e-10 2.2687050000000002e-10 2.2134140000000004e-10 2.153426e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.676988 1.04507 1.34367 1.60653 1.82224 1.99469 2.1428 2.28335 2.42425 2.56882 2.71481 2.85671 2.98919 3.10793 3.21044 3.296 3.36458 3.41704 3.45604 3.48407 3.50315 3.51498 3.52101 3.52271 3.52118 3.51683 3.51005 3.50116 3.49034 3.4766 3.4578 3.4312 3.39338 3.33993 3.26471 3.16027 3.01717 2.82306 2.56169 2.21003 1.73157 1.06442 0.10931 -1.29888 -3.45077 -7.01626 -13.4034 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.084654355098392e-19 1.6743867348943797e-19 2.1527966778067798e-19 2.57394482782002e-19 2.91955034954016e-19 3.19584571007346e-19 3.4331440913351997e-19 3.6583300172438998e-19 3.8840767049744994e-19 4.11570338095188e-19 4.34960514774954e-19 4.57695401211414e-19 4.7892103725864595e-19 4.97945282610762e-19 5.14369195285896e-19 5.280774185663999e-19 5.39065145922372e-19 5.47470164544336e-19 5.537186534169359e-19 5.58209554522038e-19 5.6126650753971e-19 5.63161882497732e-19 5.641279950080339e-19 5.64400365035814e-19 5.64155232010812e-19 5.6345828517502195e-19 5.623720094171699e-19 5.60947674389544e-19 5.59214119271556e-19 5.5701272857644e-19 5.5400063650452e-19 5.4973884665808e-19 5.43679414628292e-19 5.35115780519562e-19 5.23064207878614e-19 5.06331075113118e-19 4.834039274805779e-19 4.523040768380039e-19 4.10427986155146e-19 3.54085842643902e-19 2.77428099413538e-19 1.7053888527622797e-19 1.7513392786254e-20 -2.08103518636992e-19 -5.5287430633081795e-19 -1.1241287830068839e-18 -2.1474614296155596e-18 ] } }