{ "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" [ "Ta" "Ta" ] } "a" { "source-value" [ 4.9545 4.62253 4.416789 4.267306 4.149831 4.053045 3.970741 3.899143 3.835783 3.778961 3.727453 3.680348 3.636953 3.596727 3.559237 3.524135 3.491135 3.459999 3.430528 3.402553 3.375929 3.350532 3.326254 3.303 3.287169 3.270508 3.252924 3.23431 3.214537 3.193451 3.170865 3.146549 3.120217 3.091504 3.059935 3.02488 2.985471 2.940471 2.888028 2.825183 2.74676 2.6424 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.954500000000001e-10 4.6225300000000006e-10 4.416789e-10 4.2673059999999997e-10 4.149831e-10 4.053045e-10 3.970741e-10 3.8991430000000003e-10 3.835783e-10 3.778961e-10 3.7274530000000003e-10 3.680348e-10 3.6369530000000005e-10 3.596727e-10 3.559237e-10 3.524135e-10 3.491135e-10 3.459999e-10 3.430528e-10 3.402553e-10 3.375929e-10 3.350532e-10 3.326254e-10 3.303e-10 3.287169e-10 3.270508e-10 3.252924e-10 3.23431e-10 3.214537e-10 3.1934510000000003e-10 3.170865e-10 3.146549e-10 3.120217e-10 3.0915040000000004e-10 3.0599349999999997e-10 3.02488e-10 2.985471e-10 2.9404710000000004e-10 2.888028e-10 2.825183e-10 2.74676e-10 2.6424e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.41253 3.3828 4.11543 4.7068 5.20044 5.62074 5.98312 6.2981 6.57326 6.81431 7.02565 7.21081 7.37263 7.51345 7.63527 7.73973 7.82829 7.90218 7.96248 8.01014 8.04601 8.07084 8.0853 8.09 8.08774 8.08031 8.06659 8.04512 8.01408 7.9711 7.91305 7.83579 7.73368 7.59888 7.4202 7.18118 6.85663 6.40615 5.76086 4.7934 3.23988 0.451003 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.865299162978624e-19 5.41984307284224e-19 6.5936457305389445e-19 7.541124918781441e-19 8.332023385873153e-19 9.005418219595391e-19 9.586014983440898e-19 1.0090668575460481e-18 1.0531523494439809e-18 1.0917728168883648e-18 1.125633217592352e-18 1.155299119903085e-18 1.1812255419808705e-18 1.203787393154976e-18 1.2233051087495617e-18 1.2400414457304384e-18 1.2542303218842433e-18 1.2660688049353345e-18 1.2757299299587584e-18 1.2833659037334913e-18 1.289112911272301e-18 1.2930911158217474e-18 1.295407863215424e-18 1.2961608862272e-18 1.2957987943108994e-18 1.294608377081645e-18 1.2924101907579072e-18 1.2889703175530499e-18 1.2839971613220865e-18 1.277111006205888e-18 1.267810370922144e-18 1.2554319543498434e-18 1.2390721288748545e-18 1.2174747880264705e-18 1.1888470961660162e-18 1.1505518705756546e-18 1.0985532283475904e-18 1.026378375933792e-18 9.22991520770189e-19 7.679873414142721e-19 5.190859990197504e-19 7.225864625106624e-20 ] } }