{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.42826 5.064547 4.839131 4.675355 4.546647 4.440606 4.350431 4.271987 4.202569 4.140314 4.08388 4.032271 3.984727 3.940654 3.899579 3.86112 3.824965 3.790852 3.758563 3.727913 3.698743 3.670918 3.644318 3.61884 3.601495 3.583241 3.563976 3.543581 3.521917 3.498815 3.474069 3.447429 3.418579 3.38712 3.352532 3.314125 3.270947 3.221644 3.164186 3.095331 3.009409 2.89507 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.42826e-10 5.064547e-10 4.839131e-10 4.675355e-10 4.546647e-10 4.440606e-10 4.3504310000000004e-10 4.2719870000000003e-10 4.2025690000000005e-10 4.140314e-10 4.08388e-10 4.0322709999999997e-10 3.984727e-10 3.940654e-10 3.899579e-10 3.8611200000000004e-10 3.8249650000000004e-10 3.790852e-10 3.7585630000000004e-10 3.727913e-10 3.698743e-10 3.6709180000000003e-10 3.644318e-10 3.6188400000000003e-10 3.601495e-10 3.583241e-10 3.563976e-10 3.543581e-10 3.521917e-10 3.498815e-10 3.4740690000000004e-10 3.4474290000000004e-10 3.418579e-10 3.38712e-10 3.3525320000000004e-10 3.314125e-10 3.270947e-10 3.221644e-10 3.164186e-10 3.0953309999999997e-10 3.0094089999999997e-10 2.89507e-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" [ 0.191179 1.06889 2.02483 2.88471 3.62135 4.24494 4.77251 5.21975 5.60147 5.9317 6.22306 6.4864 6.73062 6.96245 7.18586 7.40145 7.6065 7.7965 7.97609 8.13537 8.25309 8.36335 8.45219 8.52126 8.36422 8.14852 7.92196 7.67814 7.4132 7.12283 6.80274 6.44881 6.05627 5.61848 5.12694 4.57582 3.96649 3.29714 2.52635 1.53656 0.102368 -1.95018 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.063025241879232e-20 1.7125505682069119e-19 3.244135287094464e-19 4.621814919787968e-19 5.802042305734081e-19 6.801143624698752e-19 7.6464039445342075e-19 8.3629614164208015e-19 8.974544276112577e-19 9.50363106159936e-19 9.97044124183565e-19 1.039235843315712e-18 1.0783642007488897e-18 1.115507461348896e-18 1.1513016892341888e-18 1.185843015002016e-18 1.21869564661152e-18 1.24913700240672e-18 1.2779104923396672e-18 1.3034299615557697e-18 1.3222907847358273e-18 1.3399563841567682e-18 1.3541901212559553e-18 1.3652563551758208e-18 1.3400957735227776e-18 1.3055368238121217e-18 1.269237910291277e-18 1.2301736399229312e-18 1.187725572531456e-18 1.1412031699932866e-18 1.0899190985380993e-18 1.0332132613981248e-18 9.703214203252416e-19 9.001797300432384e-19 8.214263404244353e-19 7.331271824989056e-19 6.355017544636993e-19 5.282600623504512e-19 4.04765890595808e-19 2.461840508456448e-19 1.6401161631805442e-20 -3.124532802351744e-19 ] } }