{ "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" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 8.37388 7.8128 7.465065 7.212417 7.013866 6.850282 6.711175 6.590163 6.483076 6.387038 6.299981 6.220366 6.147023 6.079034 6.01567 5.956342 5.900567 5.847943 5.798132 5.75085 5.705852 5.662927 5.621893 5.58259 5.542856 5.501911 5.459676 5.41607 5.371 5.324363 5.276048 5.225928 5.173865 5.1197 5.063257 5.004336 4.94271 4.878118 4.810261 4.738789 4.663296 4.583304 4.498241 4.407421 4.310007 4.204966 4.091003 3.966459 3.829167 3.676216 3.503569 3.305393 3.072804 2.79129 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.37388e-10 7.8128e-10 7.465065000000001e-10 7.212417e-10 7.013866e-10 6.850282e-10 6.711175e-10 6.590163e-10 6.483076e-10 6.387038e-10 6.299981e-10 6.220366e-10 6.147023e-10 6.079034e-10 6.01567e-10 5.956342e-10 5.900567e-10 5.847943e-10 5.798132e-10 5.75085e-10 5.705852e-10 5.662927e-10 5.621893e-10 5.58259e-10 5.542856e-10 5.501911e-10 5.459676e-10 5.41607e-10 5.371e-10 5.324363e-10 5.276048e-10 5.225928e-10 5.173865e-10 5.1197e-10 5.063257e-10 5.004336e-10 4.94271e-10 4.878117999999999e-10 4.810260999999999e-10 4.738789e-10 4.663296e-10 4.5833040000000003e-10 4.498241e-10 4.407421e-10 4.310007e-10 4.204966e-10 4.091003e-10 3.966459e-10 3.829167e-10 3.676216e-10 3.503569e-10 3.305393e-10 3.072804e-10 2.7912900000000004e-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" [ 0.554163 0.749215 0.899378 1.02357 1.12982 1.22246 1.30417 1.37673 1.44141 1.49917 1.55075 1.59673 1.63758 1.67369 1.70541 1.733 1.75671 1.77677 1.79334 1.80661 1.81671 1.82378 1.82794 1.82931 1.82783 1.823 1.81418 1.80058 1.78125 1.75503 1.72053 1.67601 1.61935 1.54789 1.45831 1.34644 1.20696 1.03304 0.815819 0.543673 0.201165 -0.232493 -0.785765 -1.49829 -2.42639 -3.65198 -5.29737 -7.55098 -10.7139 -15.289 -22.1631 -33.01 -51.2806 -84.9907 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.878670100273419e-20 1.2003747668423098e-19 1.4409624167336519e-19 1.63993993726338e-19 1.81017120462588e-19 1.95859684799964e-19 2.08951070076378e-19 2.20576463732682e-19 2.30939342201394e-19 2.4019351443937797e-19 2.4845754151755e-19 2.5582434968068197e-19 2.62369241230572e-19 2.6815470105594595e-19 2.73236805338994e-19 2.7765721067219998e-19 2.81455971471414e-19 2.8466993779921797e-19 2.8732474448175596e-19 2.8945083287507397e-19 2.91069031275414e-19 2.9220177015565197e-19 2.9286827563539597e-19 2.93087773834254e-19 2.92850651692422e-19 2.920768003782e-19 2.9066368058701196e-19 2.88484720364772e-19 2.8538771293125e-19 2.81186805796902e-19 2.75659296409602e-19 2.68526406035034e-19 2.5944847322679e-19 2.47999319000226e-19 2.3364702071285398e-19 2.15723470708296e-19 1.93376311017264e-19 1.6551125499873598e-19 1.3070861393732458e-19 8.710601771366819e-20 3.2230186257861e-20 -3.72494852168562e-20 -1.25893432281501e-19 -2.4005252289558596e-19 -3.88750536297126e-19 -5.85111702383532e-19 -8.487322435652579e-19 -1.209800371980132e-18 -1.71655602390126e-18 -2.4495678557225996e-18 -3.55092009570054e-18 -5.288785068833999e-18 -8.21605790975004e-18 -1.361701136473038e-17 ] } }