{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.67219 8.091121 7.730998 7.469349 7.263725 7.094314 6.950251 6.824928 6.714026 6.614567 6.524408 6.441957 6.366001 6.295589 6.229968 6.168527 6.110765 6.056266 6.004681 5.955714 5.909113 5.864659 5.822163 5.78146 5.740311 5.697907 5.654168 5.609009 5.562333 5.514035 5.463998 5.412093 5.358175 5.302081 5.243628 5.182608 5.118787 5.051894 4.981619 4.907601 4.82942 4.746578 4.658485 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.672190000000001e-10 8.091121e-10 7.730998e-10 7.469349e-10 7.263725e-10 7.094314e-10 6.950251e-10 6.824928000000001e-10 6.714026e-10 6.614567e-10 6.524408e-10 6.441957000000001e-10 6.366001e-10 6.295589e-10 6.229968e-10 6.168527e-10 6.110765e-10 6.056266000000001e-10 6.004681e-10 5.955714000000001e-10 5.909113e-10 5.864659e-10 5.822163e-10 5.78146e-10 5.740311000000001e-10 5.697907e-10 5.654168e-10 5.609009000000001e-10 5.562333e-10 5.514035e-10 5.463998e-10 5.412093e-10 5.358175e-10 5.302081000000001e-10 5.243628e-10 5.182608000000001e-10 5.118787e-10 5.051894e-10 4.981619000000001e-10 4.907601e-10 4.82942e-10 4.746578e-10 4.658485e-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" [ 0.941516 1.40626 1.76676 2.07665 2.38193 2.63665 2.84917 3.03777 3.20573 3.35556 3.49214 3.62235 3.74693 3.86165 3.95832 4.03295 4.08588 4.12061 4.14285 4.15738 4.1667 4.17259 4.17608 4.17734 4.17551 4.16787 4.15149 4.12461 4.08522 4.03092 3.95886 3.86649 3.7504 3.60386 3.41785 3.18161 2.88269 2.5075 2.04412 1.48499 0.806144 -0.0414892 -1.13323 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.508474935737144e-19 2.25307691332884e-19 2.83066158988584e-19 3.3271601069961e-19 3.81627258982362e-19 4.2243790220360996e-19 4.56487360029378e-19 4.86704411346618e-19 5.13614570091282e-19 5.37619982598504e-19 5.59502511065676e-19 5.8036445301699e-19 6.003243695233619e-19 6.1870453986861e-19 6.34192781389488e-19 6.461498256090299e-19 6.54630146532792e-19 6.60194505982674e-19 6.6375774681669e-19 6.660857094658919e-19 6.675789380887799e-19 6.685226201262059e-19 6.690817797714719e-19 6.69283654027356e-19 6.689904557033339e-19 6.677663927549579e-19 6.65142027428466e-19 6.608353766362739e-19 6.545244028749479e-19 6.458245837523279e-19 6.34279298927724e-19 6.19479993359466e-19 6.0088032481536e-19 5.77402028420724e-19 5.4759994085169e-19 5.09750120050074e-19 4.61857856106546e-19 4.0174579097549997e-19 3.2750413010920797e-19 2.37921627972366e-19 1.291585080439296e-19 -6.647302680335279e-21 -1.8156346269478199e-19 ] } }