{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.34858 4.990205 4.768099 4.606727 4.479908 4.375424 4.286573 4.20928 4.140881 4.079539 4.023934 3.973082 3.926236 3.88281 3.842338 3.804444 3.768819 3.735207 3.703392 3.673192 3.64445 3.617033 3.590824 3.56572 3.54863 3.530644 3.511661 3.491567 3.470221 3.447458 3.423076 3.396826 3.3684 3.337403 3.303324 3.26548 3.222936 3.174358 3.117744 3.0499 2.96524 2.85258 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.34858e-10 4.990205e-10 4.768099e-10 4.6067270000000006e-10 4.479908e-10 4.375424e-10 4.286573e-10 4.20928e-10 4.1408810000000003e-10 4.0795389999999997e-10 4.023934e-10 3.973082e-10 3.926236e-10 3.8828100000000004e-10 3.842338e-10 3.8044440000000004e-10 3.7688190000000003e-10 3.735207e-10 3.7033920000000004e-10 3.673192e-10 3.6444500000000003e-10 3.617033e-10 3.590824e-10 3.56572e-10 3.5486300000000003e-10 3.5306440000000003e-10 3.5116610000000004e-10 3.491567e-10 3.470221e-10 3.4474580000000003e-10 3.423076e-10 3.396826e-10 3.3684e-10 3.337403e-10 3.3033240000000003e-10 3.26548e-10 3.222936e-10 3.174358e-10 3.117744e-10 3.0499e-10 2.96524e-10 2.8525800000000004e-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 0 1.01129 2.86053 4.33391 5.27861 5.77775 6.02514 6.23588 6.41936 6.5794 6.71897 6.84046 6.94582 7.03668 7.11438 7.18009 7.23479 7.27933 7.31448 7.34089 7.35914 7.36975 7.37319 7.37154 7.36611 7.35607 7.3404 7.31775 7.28641 7.24413 7.18792 7.11369 7.0158 6.88617 6.71293 6.47793 6.15209 5.68577 4.98719 -1.80595 -11.1585 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 1.6202652081978599e-19 4.58307432685602e-19 6.94368933585894e-19 8.457265601998739e-19 9.256976047093499e-19 9.65333852457876e-19 9.99098122842792e-19 1.0284948597234239e-18 1.05413609457396e-18 1.0764976738546978e-18 1.095962517781164e-18 1.112843050796988e-18 1.127400427693512e-18 1.1398493401396918e-18 1.1503772428017059e-18 1.159141148989686e-18 1.1662772437175218e-18 1.171908894586032e-18 1.176140243076426e-18 1.1790642154334759e-18 1.18076412484215e-18 1.181315273604246e-18 1.181050914459636e-18 1.180180932547374e-18 1.178572347206838e-18 1.1760617364213598e-18 1.1724328063453499e-18 1.1674115847743939e-18 1.160637581965842e-18 1.151631747106128e-18 1.139738789951946e-18 1.1240550828817198e-18 1.1032860671751779e-18 1.075529959167762e-18 1.0378788082687619e-18 9.85673484826506e-19 9.109607840298179e-19 7.990359287318459e-19 -2.8934508921722995e-19 -1.7877887970489e-18 ] } }