{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.79493 7.272641 6.948947 6.713766 6.528942 6.376669 6.247178 6.134533 6.03485 5.945451 5.864413 5.790303 5.72203 5.658741 5.599758 5.544532 5.492613 5.443627 5.39726 5.353247 5.31136 5.271403 5.233206 5.19662 5.159634 5.121519 5.082205 5.041613 4.999659 4.956247 4.911272 4.864618 4.816154 4.765734 4.713194 4.658347 4.600982 4.540856 4.477689 4.411159 4.340886 4.266425 4.187243 4.102702 4.012023 3.914245 3.808161 3.692228 3.564429 3.422053 3.261342 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.79493e-10 7.272641e-10 6.948947000000001e-10 6.713766e-10 6.528942e-10 6.376669e-10 6.247178e-10 6.134533e-10 6.03485e-10 5.945451000000001e-10 5.864413e-10 5.790303e-10 5.722030000000001e-10 5.658741e-10 5.599758e-10 5.544532000000001e-10 5.492613e-10 5.443627e-10 5.39726e-10 5.353247e-10 5.31136e-10 5.271403000000001e-10 5.233206e-10 5.196620000000001e-10 5.159634e-10 5.121519e-10 5.082205e-10 5.041613e-10 4.999659e-10 4.956247e-10 4.911272000000001e-10 4.864618e-10 4.816154e-10 4.765734e-10 4.713194e-10 4.658347e-10 4.6009820000000004e-10 4.5408559999999997e-10 4.477689e-10 4.4111589999999996e-10 4.340886e-10 4.266425e-10 4.1872429999999995e-10 4.102702e-10 4.0120230000000003e-10 3.914245e-10 3.8081610000000003e-10 3.692228e-10 3.564429e-10 3.422053e-10 3.261342e-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" [ 0.828799 1.1494 1.38473 1.57273 1.74676 1.90682 2.048 2.17208 2.28134 2.37758 2.46222 2.53639 2.60231 2.66263 2.71698 2.76517 2.80718 2.8431 2.87304 2.89716 2.91561 2.92859 2.93625 2.93877 2.93603 2.92711 2.9108 2.8856 2.84778 2.79435 2.72292 2.63054 2.51357 2.36769 2.18823 1.96854 1.70028 1.37314 0.974348 0.488075 -0.10509 -0.830878 -1.72116 -2.81645 -4.1697 -5.85367 -7.97601 -10.6696 -14.1343 -18.7121 -25.0216 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3278823920825658e-19 1.8415418231195998e-19 2.21858205039882e-19 2.5197912575908196e-19 2.79861805720584e-19 3.0550624492438796e-19 3.2812577464319997e-19 3.4800558231787192e-19 3.65510964220956e-19 3.80930312146572e-19 3.9449113517674797e-19 4.0637447927112596e-19 4.16936027642454e-19 4.26600357098742e-19 4.35308187104532e-19 4.430290763037779e-19 4.49759820343212e-19 4.5551483881254e-19 4.60311755654736e-19 4.64176205695944e-19 4.67132221585674e-19 4.692118468566059e-19 4.7043911415825e-19 4.70842862670018e-19 4.70403866272302e-19 4.68974724714774e-19 4.6636157462472e-19 4.6232408950703995e-19 4.56264657477252e-19 4.477042277217899e-19 4.362598800251279e-19 4.2145897228023597e-19 4.02718312192338e-19 3.7934575945554598e-19 3.5059309758178196e-19 3.15394879109436e-19 2.72414888725752e-19 2.2000128232107598e-19 1.5610775989846318e-19 7.819823606395499e-20 -1.6837274246706e-20 -1.331213317304652e-19 -2.7576023353754398e-19 -4.5124503808293e-19 -6.680595910789799e-19 -9.37861329714678e-19 -1.277897685455034e-18 -1.70945838141264e-18 -2.2645645197946196e-18 -2.9980089393071397e-18 -4.0089022865294395e-18 ] } }