{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.56209 8.921395 8.524318 8.235821 8.009097 7.822302 7.663455 7.525272 7.402991 7.293325 7.193915 7.103004 7.019253 6.941616 6.869262 6.801516 6.737826 6.677735 6.620857 6.566865 6.515482 6.466466 6.41961 6.37473 6.344177 6.312021 6.278084 6.242159 6.203997 6.163301 6.119711 6.072782 6.021962 5.966546 5.905618 5.837961 5.761902 5.675053 5.573839 5.452548 5.301193 5.09978 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.56209e-10 8.921395e-10 8.524318e-10 8.235821e-10 8.009097000000001e-10 7.822302e-10 7.663455000000001e-10 7.525272e-10 7.402991e-10 7.293325000000001e-10 7.193915e-10 7.103004e-10 7.019253e-10 6.941616e-10 6.869262000000001e-10 6.801516000000001e-10 6.737826e-10 6.677735e-10 6.620857e-10 6.566865000000001e-10 6.515482e-10 6.466466e-10 6.41961e-10 6.37473e-10 6.344177000000001e-10 6.312021e-10 6.278084e-10 6.242159e-10 6.203997000000001e-10 6.163301e-10 6.119710999999999e-10 6.072782e-10 6.021962000000001e-10 5.966546e-10 5.905618e-10 5.837961e-10 5.761902e-10 5.675053e-10 5.573839000000001e-10 5.452548e-10 5.301193e-10 5.09978e-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" [ 0.314215 0.448342 0.553381 0.640833 0.715536 0.780812 0.838293 0.889086 0.934114 0.974075 1.00952 1.04088 1.06892 1.09375 1.11544 1.13421 1.15026 1.16373 1.17503 1.18407 1.19094 1.19574 1.19856 1.19948 1.19903 1.19755 1.1948 1.19046 1.18414 1.17532 1.16334 1.14738 1.12606 1.09754 1.05923 1.00739 0.93622 0.835431 0.687605 0.459785 0.0815967 -0.630869 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.034279269046721e-20 7.183230705227136e-20 8.866141005949249e-20 1.0267276504371264e-19 1.1464150505407487e-19 1.2509987316400896e-19 1.3430934459802944e-19 1.424472803080589e-19 1.4966156119619714e-19 1.56064019190576e-19 1.617429342230016e-19 1.6676736010583042e-19 1.7125986335055364e-19 1.752380679e-19 1.787131889905152e-19 1.817204745077568e-19 1.8429196798414081e-19 1.864500998923584e-19 1.882605594738624e-19 1.897089271390656e-19 1.9080962247755524e-19 1.9157866725553923e-19 1.9203048106260483e-19 1.9217788131171842e-19 1.9210578336378242e-19 1.9186866122390398e-19 1.9142806265318403e-19 1.9073271799975682e-19 1.8972014237541121e-19 1.883070225958656e-19 1.8638761500414722e-19 1.838305411173504e-19 1.8041470056180482e-19 1.758452928392832e-19 1.6970735420499838e-19 1.614016706027712e-19 1.499989795925376e-19 1.338508016491565e-19 1.101664655345184e-19 7.36656777594528e-20 1.3073232507443136e-20 -1.0107635625874753e-19 ] } }