{ "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 5.835 5.444033 5.201728 5.02568 4.887328 4.773341 4.67641 4.592087 4.517468 4.450548 4.389885 4.334409 4.283303 4.235927 4.191775 4.150434 4.11157 4.0749 4.040192 4.007245 3.97589 3.94598 3.917387 3.89 3.862313 3.833782 3.804353 3.773968 3.742562 3.710065 3.676399 3.641475 3.605197 3.567454 3.528125 3.487068 3.444127 3.399119 3.351835 3.302033 3.249429 3.19369 3.134417 3.071133 3.003254 2.930061 2.85065 2.763867 2.668201 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.835e-10 5.444033e-10 5.201728e-10 5.02568e-10 4.887328e-10 4.773341e-10 4.67641e-10 4.5920870000000006e-10 4.5174680000000003e-10 4.4505480000000006e-10 4.389885e-10 4.3344090000000003e-10 4.283303e-10 4.235927e-10 4.1917749999999997e-10 4.150434e-10 4.1115700000000003e-10 4.0749000000000006e-10 4.040192e-10 4.0072450000000003e-10 3.97589e-10 3.94598e-10 3.9173870000000003e-10 3.89e-10 3.862313e-10 3.833782e-10 3.804353e-10 3.773968e-10 3.742562e-10 3.710065e-10 3.676399e-10 3.641475e-10 3.605197e-10 3.567454e-10 3.528125e-10 3.487068e-10 3.444127e-10 3.399119e-10 3.351835e-10 3.302033e-10 3.249429e-10 3.1936900000000005e-10 3.1344170000000003e-10 3.071133e-10 3.003254e-10 2.930061e-10 2.85065e-10 2.763867e-10 2.668201e-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" [ 0.616642 1.03495 1.39002 1.70008 1.97476 2.2201 2.44026 2.63832 2.81665 2.97712 3.12127 3.25036 3.36551 3.46762 3.55748 3.63581 3.70323 3.76029 3.80749 3.84529 3.87408 3.89424 3.90611 3.91 3.90578 3.89203 3.86692 3.82823 3.77328 3.69884 3.60098 3.47489 3.31466 3.11296 2.86067 2.54633 2.15545 1.66952 1.06463 0.309715 -0.636391 -1.82862 -3.34169 -5.27871 -7.78475 -11.0696 -15.4432 -21.3762 -29.6164 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.879694039430279e-20 1.6581727073583e-19 2.22705756479268e-19 2.72382845193072e-19 3.16391432975784e-19 3.5569923451433995e-19 3.9097275528848397e-19 4.22705465701488e-19 4.512770816156099e-19 4.76987210061408e-19 5.00082586240518e-19 5.20765084408824e-19 5.39214148349334e-19 5.55573973959108e-19 5.69971133192232e-19 5.82520982766354e-19 5.9332285763278195e-19 6.0246487750638595e-19 6.10027151218866e-19 6.16083378895386e-19 6.20696045424672e-19 6.239260335188159e-19 6.25827817183374e-19 6.264510638939999e-19 6.25774945354452e-19 6.23571952482702e-19 6.19548886954728e-19 6.13350065557782e-19 6.04546104953952e-19 5.92619502090456e-19 5.76940601550132e-19 5.567387563720259e-19 5.310670801654439e-19 4.98751177457664e-19 4.58329863158478e-19 4.0796704284532203e-19 3.4534116257553e-19 2.6748659339956796e-19 1.7057253098554197e-19 4.9621813619930997e-20 -1.019610790287894e-19 -2.92977223646508e-19 -5.353977636071459e-19 -8.45742581966214e-19 -1.2472544551531498e-18 -1.7735454467726396e-18 -2.47427341941888e-18 -3.4248448163710798e-18 -4.745070406319759e-18 ] } }