{ "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" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" ] } "a" { "source-value" [ 12.9422 12.075026 11.537586 11.147108 10.840239 10.587414 10.372417 10.185388 10.019881 9.87145 9.736898 9.613851 9.500495 9.395415 9.297484 9.20579 9.119587 9.038254 8.96127 8.888193 8.818647 8.752304 8.688884 8.62814 8.586786 8.543264 8.497331 8.448707 8.397055 8.341973 8.282974 8.219457 8.150673 8.075667 7.993203 7.90163 7.798685 7.681136 7.544144 7.379977 7.17512 6.90251 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2942200000000001e-09 1.2075026e-09 1.1537586e-09 1.1147108e-09 1.0840239000000002e-09 1.0587414e-09 1.0372417000000002e-09 1.0185388e-09 1.0019881e-09 9.87145e-10 9.736898000000001e-10 9.613851e-10 9.500495e-10 9.395415000000001e-10 9.297484000000001e-10 9.20579e-10 9.119586999999999e-10 9.038254000000001e-10 8.961270000000001e-10 8.888192999999999e-10 8.818647e-10 8.752304000000001e-10 8.688884e-10 8.628140000000001e-10 8.586786e-10 8.543264000000001e-10 8.497331000000001e-10 8.448707000000001e-10 8.397055e-10 8.341972999999999e-10 8.282973999999999e-10 8.219457e-10 8.150672999999999e-10 8.075666999999999e-10 7.993203000000001e-10 7.90163e-10 7.798685000000001e-10 7.681136000000001e-10 7.544144e-10 7.379977e-10 7.17512e-10 6.902510000000001e-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" [ 0.700451 1.04993 1.35709 1.6386 1.90174 2.14823 2.38076 2.59934 2.80466 2.99713 3.17718 3.34516 3.50061 3.64347 3.77416 3.89248 3.99774 4.08973 4.1682 4.23292 4.2836 4.31996 4.34235 4.34991 4.3461 4.33329 4.3089 4.26954 4.21087 4.12659 4.00802 3.84304 3.61412 3.29521 2.84635 2.20407 1.26141 -0.170583 -2.45611 -6.37267 -13.8371 -30.8362 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.122246216215981e-19 1.6821732994765442e-19 2.174297870321472e-19 2.62532661084288e-19 3.046923366840192e-19 3.441843882101184e-19 3.8143980117358083e-19 4.1646017775102726e-19 4.493560681292928e-19 4.801931615498304e-19 5.090403516073344e-19 5.359537144835328e-19 5.608595500538688e-19 5.837482452586176e-19 6.046870915158528e-19 6.236440452931585e-19 6.405085564036992e-19 6.552469791384385e-19 6.67819259081856e-19 6.7818854617167365e-19 6.86308377285888e-19 6.921338914791168e-19 6.95721164933088e-19 6.969324104584129e-19 6.963219811658881e-19 6.942695929146432e-19 6.903618841365121e-19 6.840557169570433e-19 6.746557467228096e-19 6.611526021627072e-19 6.421555939698817e-19 6.157228840799232e-19 5.790458568765696e-19 5.279508422626368e-19 4.56035542461408e-19 3.5313094246066565e-19 2.021001611243328e-19 -2.7330409450592644e-20 -3.9351220201130877e-19 -1.0210142886073536e-18 -2.216947811967168e-18 -4.940503871431297e-18 ] } }