{ "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 12.7942 11.936944 11.405651 11.019638 10.716279 10.466345 10.253807 10.068917 9.905303 9.75857 9.625557 9.503918 9.391858 9.28798 9.191168 9.100523 9.015306 8.934903 8.8588 8.786559 8.717808 8.652224 8.58953 8.52948 8.488599 8.445574 8.400167 8.352098 8.301037 8.246585 8.188261 8.12547 8.057472 7.983324 7.901802 7.811277 7.709508 7.593303 7.457878 7.295588 7.093073 6.82358 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2794200000000001e-09 1.1936944e-09 1.1405651e-09 1.1019638000000002e-09 1.0716279000000001e-09 1.0466345000000001e-09 1.0253807e-09 1.0068917000000002e-09 9.905303e-10 9.75857e-10 9.625557000000001e-10 9.503918e-10 9.391858e-10 9.287979999999999e-10 9.191167999999999e-10 9.100523000000001e-10 9.015306000000001e-10 8.934903000000001e-10 8.8588e-10 8.786559000000001e-10 8.717808e-10 8.652224000000001e-10 8.58953e-10 8.52948e-10 8.488599000000001e-10 8.445574000000001e-10 8.400167e-10 8.352098e-10 8.301037000000001e-10 8.246585e-10 8.188261000000001e-10 8.12547e-10 8.057472000000001e-10 7.983324e-10 7.901802e-10 7.811277e-10 7.709508e-10 7.593303e-10 7.457878e-10 7.295588e-10 7.093073000000001e-10 6.82358e-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" [ 0.00407982 0.00642594 0.00847781 0.0103842 0.012232 0.0139609 0.0155843 0.0171101 0.0185432 0.0198865 0.0211415 0.0223088 0.0233885 0.0243801 0.0252908 0.026123 0.0268639 0.0275121 0.0280658 0.0285233 0.0288827 0.029142 0.0292991 0.029352 0.0293254 0.0292467 0.0290969 0.0288445 0.028458 0.0278945 0.0270944 0.0259737 0.0244106 0.0222243 0.019137 0.014705 0.00818546 -0.00174281 -0.017539 -0.0445968 -0.096338 -0.214279 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.536592221072256e-22 1.0295490834663553e-21 1.358294897758445e-21 1.6637322465711361e-21 1.95978244256256e-21 2.236782758532672e-21 2.496880111153344e-21 2.7413402199550082e-21 2.970948151481856e-21 3.1861685369539206e-21 3.3872417028643203e-21 3.5742637798103046e-21 3.74725078955808e-21 3.906122623276608e-21 4.052032848132864e-21 4.1853659865158406e-21 4.304071252350912e-21 4.407924340911169e-21 4.496636860404864e-21 4.569936440806465e-21 4.627518668558017e-21 4.669063108335361e-21 4.694233303048128e-21 4.70270881737216e-21 4.698447027560833e-21 4.6858378975551365e-21 4.661837291775552e-21 4.62139835386656e-21 4.55947422747264e-21 4.46919157489056e-21 4.341001423460352e-21 4.161445489567296e-21 3.911009261970048e-21 3.560725387364544e-21 3.0660853992249602e-21 2.3560007208864e-21 1.311455264249357e-21 -2.7922894364964484e-22 -2.81005757522112e-21 -7.145195032249345e-21 -1.543504912946304e-20 -3.433128041284032e-20 ] } }