{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.05106 8.444606 8.068749 7.79567 7.581062 7.40425 7.253893 7.123095 7.007348 6.903543 6.809445 6.723393 6.644118 6.570631 6.502143 6.438017 6.377731 6.320851 6.267013 6.215907 6.16727 6.120874 6.076521 6.03404 5.991093 5.946836 5.901187 5.854055 5.805339 5.754931 5.702709 5.648537 5.592263 5.533718 5.472711 5.409026 5.342416 5.272601 5.199256 5.122004 5.040407 4.953946 4.862005 4.76384 4.658549 4.545014 4.421835 4.28722 4.138826 3.973506 3.786898 3.572696 3.321299 3.01702 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.05106e-10 8.444606000000001e-10 8.068749e-10 7.795670000000001e-10 7.581062e-10 7.404250000000001e-10 7.253893e-10 7.123095e-10 7.007348000000001e-10 6.903543e-10 6.809445e-10 6.723393e-10 6.644118e-10 6.570631e-10 6.502143e-10 6.438017e-10 6.377731e-10 6.320851e-10 6.267013e-10 6.215906999999999e-10 6.167270000000001e-10 6.120874e-10 6.076521e-10 6.03404e-10 5.991093e-10 5.946836000000001e-10 5.901187e-10 5.854055e-10 5.805339000000001e-10 5.754931e-10 5.702709e-10 5.648537e-10 5.592263e-10 5.533718000000001e-10 5.472711000000001e-10 5.409026e-10 5.342416e-10 5.272601e-10 5.199256e-10 5.122004e-10 5.040407000000001e-10 4.953946e-10 4.862005e-10 4.76384e-10 4.658549e-10 4.545014e-10 4.421835e-10 4.2872199999999996e-10 4.138826e-10 3.973506e-10 3.786898e-10 3.572696e-10 3.321299e-10 3.01702e-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" [ 1.2919 1.49292 1.639 1.77935 1.90994 2.02417 2.12272 2.20963 2.28842 2.3605 2.42559 2.4824 2.53019 2.56981 2.60258 2.62972 2.65217 2.67058 2.68542 2.69707 2.7058 2.71185 2.71539 2.71655 2.71529 2.71115 2.70346 2.69128 2.67337 2.64813 2.6139 2.56949 2.51447 2.44862 2.37094 2.27827 2.16342 2.01791 1.83959 1.62931 1.37351 1.01256 0.431747 -0.540131 -2.12678 -4.53502 -7.6779 -10.1641 -5.72216 29.6608 187.985 854.767 3934.42 21858.1 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0698519934645999e-19 2.39192154043128e-19 2.625967503126e-19 2.8508329937078996e-19 3.0600612403419596e-19 3.2430778772437793e-19 3.40097238452448e-19 3.54021755578542e-19 3.6664530527782797e-19 3.7819379445569997e-19 3.88622362166406e-19 3.9772432762416e-19 4.05381129758046e-19 4.11728953581954e-19 4.16979286411572e-19 4.2132759379624797e-19 4.2492448033957796e-19 4.27874087522772e-19 4.30251717647628e-19 4.32118253426238e-19 4.3351695362772e-19 4.3448627049129e-19 4.35053441019726e-19 4.352392935092699e-19 4.350374192533859e-19 4.343741181269099e-19 4.33142044295364e-19 4.3119059315515197e-19 4.2832109480365795e-19 4.2427720097944197e-19 4.1879295036126e-19 4.1167768392966596e-19 4.02862508089398e-19 3.92312174954508e-19 3.79866466861596e-19 3.65019095994318e-19 3.4661809735282798e-19 3.23304825151494e-19 2.94734811414006e-19 2.61044241154254e-19 2.20060562856534e-19 1.6222999725230397e-19 6.917349551995979e-20 -8.65385267499054e-20 -3.40747722165852e-19 -7.26590307872268e-19 -1.2301351978188599e-18 -1.6284683525639399e-18 -9.16791104800944e-19 4.752184070574719e-18 3.0118517454249e-17 1.369487714914278e-16 6.30363579234228e-16 3.5020537083635395e-15 ] } }