{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.33352 7.775143 7.429084 7.177653 6.980059 6.817264 6.678827 6.558398 6.451827 6.356252 6.269614 6.190383 6.117393 6.049731 5.986673 5.927631 5.872125 5.819754 5.770184 5.723129 5.678348 5.63563 5.594794 5.55568 5.529052 5.501028 5.471452 5.440142 5.406883 5.371416 5.333426 5.292527 5.248237 5.199941 5.146841 5.087877 5.02159 4.9459 4.85769 4.751983 4.620075 4.44454 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.33352e-10 7.775143000000001e-10 7.429084e-10 7.177653e-10 6.980059e-10 6.817264e-10 6.678827e-10 6.558398e-10 6.451827e-10 6.356252e-10 6.269614e-10 6.190383e-10 6.117393e-10 6.049731000000001e-10 5.986673e-10 5.927631e-10 5.872125e-10 5.819754e-10 5.770184e-10 5.723129000000001e-10 5.678348e-10 5.63563e-10 5.594794e-10 5.55568e-10 5.529052e-10 5.501028e-10 5.471452e-10 5.440142e-10 5.406883e-10 5.371416000000001e-10 5.333426e-10 5.292527e-10 5.248237e-10 5.199941e-10 5.146841000000001e-10 5.087876999999999e-10 5.02159e-10 4.9459e-10 4.85769e-10 4.751983e-10 4.620075e-10 4.4445400000000003e-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" [ 1.02352 1.55541 1.80624 1.9646 2.11922 2.31553 2.54334 2.76238 2.95568 3.12244 3.27606 3.42563 3.57257 3.7176 3.84618 3.95687 4.05367 4.14001 4.21735 4.28421 4.33879 4.37994 4.40676 4.41623 4.41141 4.39529 4.36513 4.31794 4.25076 4.15967 4.03978 3.88495 3.6868 3.43287 3.11265 2.71971 2.2475 1.6951 1.07767 0.419397 -0.391674 -1.37291 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.639859814921216e-19 2.4920415377585283e-19 2.8939154995537924e-19 3.14763618922368e-19 3.395364738331776e-19 3.709888030761024e-19 4.0748798867454723e-19 4.425820653765504e-19 4.735521394566145e-19 5.002700367850753e-19 5.248826740338049e-19 5.488464297511104e-19 5.723888130171456e-19 5.95625180548608e-19 6.162259675388544e-19 6.339604605544896e-19 6.494695302438337e-19 6.633027231878208e-19 6.75693957173088e-19 6.864061100597568e-19 6.951507900560833e-19 7.017437468506753e-19 7.0604078454766085e-19 7.075580458075584e-19 7.067857966763329e-19 7.042030879636032e-19 6.993709232752704e-19 6.918102518017152e-19 6.810468292631807e-19 6.664526024243137e-19 6.472441069175425e-19 6.22437606297696e-19 5.90690476556544e-19 5.500064056245696e-19 4.98701505873312e-19 4.357455777355968e-19 3.6008919552480003e-19 2.71584958991808e-19 1.726617678937536e-19 6.719480682336577e-20 -6.275309257752193e-20 -2.1996443044625285e-19 ] } }