{ "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" [ 6.19616 5.780994 5.52369 5.336746 5.18983 5.068788 4.965856 4.876315 4.797077 4.726014 4.661597 4.602687 4.548417 4.498109 4.451223 4.407324 4.366054 4.327115 4.290259 4.255273 4.221977 4.190215 4.159852 4.13077 4.110972 4.090135 4.068145 4.044866 4.020137 3.993767 3.965521 3.935112 3.902181 3.866272 3.826792 3.782951 3.733666 3.677389 3.611804 3.533209 3.435133 3.30462 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.19616e-10 5.780994e-10 5.52369e-10 5.336746e-10 5.18983e-10 5.068787999999999e-10 4.965856e-10 4.876315e-10 4.797077e-10 4.726014e-10 4.661597000000001e-10 4.6026870000000005e-10 4.548417e-10 4.4981090000000005e-10 4.4512229999999997e-10 4.4073240000000003e-10 4.3660540000000004e-10 4.327115e-10 4.290259e-10 4.255273e-10 4.221977e-10 4.1902150000000003e-10 4.159852e-10 4.13077e-10 4.1109720000000005e-10 4.0901350000000005e-10 4.0681450000000005e-10 4.044866e-10 4.0201370000000003e-10 3.993767e-10 3.965521e-10 3.9351120000000004e-10 3.9021810000000004e-10 3.866272e-10 3.826792e-10 3.782951e-10 3.7336660000000003e-10 3.6773889999999997e-10 3.611804e-10 3.533209e-10 3.435133e-10 3.30462e-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" [ 4.05287 4.80971 4.83196 4.60384 4.35513 4.013 3.60007 3.47256 3.49791 3.54979 3.61155 3.68278 3.76292 3.85025 3.94079 4.02974 4.1121 4.18091 4.23337 4.26573 4.29672 4.32 4.33392 4.33794 4.33624 4.33109 4.3224 4.31017 4.29437 4.27524 4.25326 4.22814 4.19743 4.15292 4.0932 4.01778 3.92102 3.79014 3.60092 3.29971 2.74247 1.70473 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.493413561141697e-19 7.706004914827968e-19 7.741653344640768e-19 7.376164813903873e-19 6.977687466544705e-19 6.4295347792704e-19 5.767947987243456e-19 5.563654446325249e-19 5.604269623662528e-19 5.687390546749632e-19 5.78634097485024e-19 5.900464015549825e-19 6.028862449940736e-19 6.1687805342352e-19 6.313841605482432e-19 6.456355215902593e-19 6.58831048239168e-19 6.6985562556689285e-19 6.782606441196096e-19 6.834452876645184e-19 6.884104330123776e-19 6.921403001856001e-19 6.943705300417536e-19 6.950146050433152e-19 6.947422350177792e-19 6.939171140580672e-19 6.92524822574592e-19 6.905653605673537e-19 6.880339215064896e-19 6.849689576308992e-19 6.814473734183809e-19 6.774227057469312e-19 6.725024213444544e-19 6.653711332052736e-19 6.558029344258561e-19 6.437193183517824e-19 6.282166573689216e-19 6.072473697558912e-19 5.769309837371137e-19 5.286718217419968e-19 4.393921317245376e-19 2.7312785507763844e-19 ] } }