{ "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 9.32361 8.698894 8.311719 8.030417 7.809347 7.62721 7.472326 7.337589 7.218357 7.111426 7.014495 6.925851 6.844189 6.768489 6.697938 6.631882 6.569781 6.511188 6.455728 6.403084 6.352982 6.305189 6.259501 6.21574 6.185949 6.154595 6.121505 6.086476 6.049265 6.009584 5.967081 5.921323 5.871771 5.817737 5.758329 5.69236 5.618197 5.533515 5.434825 5.316559 5.168979 4.97259 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.32361e-10 8.698894e-10 8.311719e-10 8.030417e-10 7.809347e-10 7.62721e-10 7.472326e-10 7.337589e-10 7.218357e-10 7.111426e-10 7.014495e-10 6.925851e-10 6.844189000000001e-10 6.768489e-10 6.697938e-10 6.631882e-10 6.569781000000001e-10 6.511188e-10 6.455728e-10 6.403084e-10 6.352982e-10 6.305189000000001e-10 6.259501e-10 6.215740000000001e-10 6.185949e-10 6.154595e-10 6.121505000000001e-10 6.086476e-10 6.049265e-10 6.009584000000001e-10 5.967081e-10 5.921323e-10 5.871771e-10 5.817737e-10 5.758329e-10 5.69236e-10 5.618197e-10 5.533515e-10 5.434825e-10 5.316559e-10 5.168979e-10 4.972590000000001e-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" [ 0.233976 0.369882 0.485987 0.588656 0.681113 0.765315 0.842576 0.913831 0.979772 1.04092 1.08739 1.13679 1.186 1.2318 1.27433 1.31365 1.34977 1.38261 1.41204 1.43781 1.45951 1.47654 1.48795 1.49224 1.48966 1.47974 1.45672 1.40619 1.26503 0.812639 0.741536 0.669277 0.604075 0.538656 0.466968 0.383142 0.279543 0.144507 -0.0418868 -0.317464 -0.764182 -1.59745 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.748708770283008e-20 5.926162928547456e-20 7.786370094127297e-20 9.431308808936447e-20 1.0912633247229505e-19 1.226169800547552e-19 1.349955568447181e-19 1.4641186635622847e-19 1.5697677921144577e-19 1.6677376881231362e-19 1.7421908356917123e-19 1.8213383607592322e-19 1.9001814722688e-19 1.9735611615014402e-19 2.041701733184064e-19 2.10469931791392e-19 2.162569937457216e-19 2.215185417684288e-19 2.2623374756344323e-19 2.303625567152448e-19 2.3383927998238083e-19 2.365677867676032e-19 2.3839587029193604e-19 2.3908320406225923e-19 2.386698424940928e-19 2.3708048328625923e-19 2.333922727051776e-19 2.252964742402752e-19 2.0268014906106242e-19 1.3019912069502913e-19 1.188071642681549e-19 1.0722999622391617e-19 9.678348422097601e-20 8.630220498536448e-20 7.481652122617344e-20 6.138611548465536e-20 4.478772591082944e-20 2.315257369419456e-20 -6.7110051680125444e-21 -5.086333987456513e-20 -1.2243545344361858e-19 -2.5593970428969604e-19 ] } }