{ "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" [ "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" [ 10.0002 9.330156 8.914889 8.613176 8.376065 8.180713 8.01459 7.870078 7.742194 7.627505 7.523541 7.428465 7.340878 7.259685 7.184016 7.113166 7.046559 6.983715 6.924231 6.867767 6.81403 6.762769 6.713766 6.66683 6.634877 6.601247 6.565756 6.528184 6.488274 6.445713 6.400125 6.351046 6.297898 6.239942 6.176223 6.105466 6.025921 5.935093 5.829241 5.702392 5.544102 5.33346 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.00002e-09 9.330156e-10 8.914889000000001e-10 8.613175999999999e-10 8.376065000000001e-10 8.180713000000002e-10 8.01459e-10 7.870078000000001e-10 7.742194e-10 7.627505e-10 7.523541000000001e-10 7.428465e-10 7.340878e-10 7.259685000000001e-10 7.184016e-10 7.113166e-10 7.046559000000001e-10 6.983715e-10 6.924231e-10 6.867767e-10 6.81403e-10 6.762769e-10 6.713766e-10 6.66683e-10 6.634877e-10 6.601247e-10 6.565756000000001e-10 6.528184e-10 6.488274e-10 6.445713e-10 6.400125e-10 6.351046e-10 6.297898e-10 6.239942e-10 6.176223000000001e-10 6.105466e-10 6.025921e-10 5.935093e-10 5.829241e-10 5.702391999999999e-10 5.544102e-10 5.33346e-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 0 0.0251785 0.0911785 0.194151 0.319311 0.451121 0.578314 0.694447 0.796746 0.88476 0.959304 1.02176 1.07366 1.11649 1.15158 1.18006 1.2029 1.22088 1.23465 1.24471 1.25151 1.25539 1.25663 1.25604 1.25414 1.2507 1.24609 1.23944 1.23032 1.21818 1.20231 1.18177 1.15527 1.12102 1.07638 1.01723 0.93664 0.821769 0.645861 0.345193 -0.256707 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 4.03404040468128e-21 1.460840610196128e-20 3.110641931049408e-20 5.115926189642688e-20 7.227755193519168e-20 9.265611702813313e-20 1.1126267477846976e-19 1.276527813915917e-19 1.417541787019008e-19 1.5369744410399233e-19 1.637039984068608e-19 1.7201929506881282e-19 1.7888141753569922e-19 1.8450345529808642e-19 1.8906645431412483e-19 1.9272582571603202e-19 1.9560653928023042e-19 1.9781273648707203e-19 1.9942452616759682e-19 2.005140062697408e-19 2.0113565079861122e-19 2.013343206995904e-19 2.0123979227896322e-19 2.0093537872101121e-19 2.0038422996345599e-19 1.996456265412672e-19 1.9858017908843524e-19 1.9711899401026563e-19 1.9517395159261442e-19 1.9263129729540482e-19 1.893404265162816e-19 1.850946584711616e-19 1.796072035449216e-19 1.724550871096704e-19 1.6297821239763842e-19 1.500662710106112e-19 1.316619079498195e-19 1.0347833944865089e-19 5.530601542638145e-20 -4.1128995379570565e-20 ] } }