{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" [ 5.87962 5.485664 5.241506 5.064113 4.924703 4.809845 4.712172 4.627205 4.552015 4.484583 4.423457 4.367557 4.31606 4.268322 4.223832 4.182175 4.143013 4.106064 4.07109 4.037892 4.006297 3.976158 3.947346 3.91975 3.900963 3.881191 3.860324 3.838234 3.814768 3.789745 3.762942 3.734086 3.702838 3.668763 3.631299 3.589698 3.54293 3.489528 3.427293 3.352712 3.259646 3.1358 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.87962e-10 5.485664e-10 5.241506000000001e-10 5.064113e-10 4.924703e-10 4.809845e-10 4.712172e-10 4.6272050000000004e-10 4.552015e-10 4.484583e-10 4.423457e-10 4.3675569999999997e-10 4.3160600000000004e-10 4.2683220000000004e-10 4.223832e-10 4.182175e-10 4.143013e-10 4.1060640000000003e-10 4.07109e-10 4.0378920000000006e-10 4.006297e-10 3.976158e-10 3.947346e-10 3.9197500000000003e-10 3.900963e-10 3.881191e-10 3.860324e-10 3.838234e-10 3.814768e-10 3.789745e-10 3.762942e-10 3.734086e-10 3.702838e-10 3.6687630000000004e-10 3.631299e-10 3.589698e-10 3.5429300000000005e-10 3.4895280000000003e-10 3.4272930000000005e-10 3.352712e-10 3.259646e-10 3.1358e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.200099 0.300201 0.38496 0.460021 0.527895 0.58994 0.646983 0.699566 0.748062 0.792743 0.83381 0.871416 0.905684 0.93671 0.964572 0.989336 1.01105 1.02977 1.04554 1.05837 1.06832 1.07539 1.07962 1.08102 1.08033 1.07801 1.07363 1.06665 1.05633 1.04172 1.02148 0.993819 0.956177 0.904867 0.834414 0.736392 0.597264 0.394113 0.0853891 -0.411408 -1.28236 -3.03739 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.20593942286766e-20 4.8097502770343397e-20 6.1677391702464e-20 7.370348973493139e-20 8.457810342054299e-20 9.4518808346196e-20 1.0365810451952219e-19 1.120828299140844e-19 1.198527457183308e-19 1.2701143113670619e-19 1.33591089919554e-19 1.396162353693744e-19 1.451065742587656e-19 1.50077487483414e-19 1.5454147202106478e-19 1.585091022375024e-19 1.6198806858056999e-19 1.64987343239418e-19 1.6751397579123598e-19 1.69569568412658e-19 1.7116373416348798e-19 1.72296473043726e-19 1.72974193759908e-19 1.73198498488668e-19 1.7308794830092198e-19 1.7271624332183398e-19 1.72014489956142e-19 1.7089617066561e-19 1.69242724379322e-19 1.66901944317048e-19 1.6365913880983198e-19 1.592273580225246e-19 1.531964447368218e-19 1.449756764277678e-19 1.336878613882476e-19 1.179830055864528e-19 9.56922425129376e-20 6.31438639755642e-20 1.368084208182894e-20 -6.591482846406719e-20 -2.0545672283762398e-19 -4.866435286345259e-19 ] } }