{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.75326 7.233763 6.911799 6.677876 6.49404 6.34258 6.213782 6.101739 6.002589 5.913668 5.833063 5.759349 5.691441 5.628491 5.569823 5.514892 5.463251 5.414527 5.368408 5.32463 5.282967 5.243223 5.20523 5.16884 5.132051 5.09414 5.055036 5.014662 4.972932 4.929752 4.885017 4.838613 4.790408 4.740257 4.687998 4.633444 4.576386 4.516581 4.453753 4.387578 4.317681 4.243617 4.164859 4.08077 3.990576 3.89332 3.787804 3.67249 3.545374 3.403759 3.243908 3.060419 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.75326e-10 7.233763e-10 6.911799000000001e-10 6.677876000000001e-10 6.49404e-10 6.34258e-10 6.213782e-10 6.101739000000001e-10 6.002589e-10 5.913668e-10 5.833063e-10 5.759349e-10 5.691441e-10 5.628491000000001e-10 5.569823000000001e-10 5.514892e-10 5.463251e-10 5.414527e-10 5.368408e-10 5.324630000000001e-10 5.282967e-10 5.243223e-10 5.20523e-10 5.16884e-10 5.132051e-10 5.09414e-10 5.055036000000001e-10 5.014662000000001e-10 4.972932e-10 4.929752e-10 4.885017e-10 4.838613e-10 4.790408000000001e-10 4.740256999999999e-10 4.687998e-10 4.6334440000000003e-10 4.5763860000000005e-10 4.5165810000000003e-10 4.453753e-10 4.3875780000000007e-10 4.3176810000000007e-10 4.2436170000000005e-10 4.164859e-10 4.0807700000000003e-10 3.9905760000000003e-10 3.89332e-10 3.7878040000000003e-10 3.67249e-10 3.545374e-10 3.403759e-10 3.243908e-10 3.060419e-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" [ 0.741753 1.04959 1.2939 1.51004 1.71846 1.91911 2.10013 2.25568 2.38784 2.50112 2.59961 2.68641 2.7638 2.83335 2.896 2.95216 3.00184 3.04481 3.08087 3.10991 3.13197 3.14729 3.15619 3.15906 3.15603 3.1464 3.12929 3.10377 3.06882 3.02335 2.96617 2.89607 2.81175 2.71178 2.59355 2.45346 2.28684 2.08743 1.84688 1.55412 1.19509 0.752118 0.201942 -0.489114 -1.37123 -2.51548 -4.01987 -6.03193 -8.81229 -12.8253 -18.9003 -28.5818 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1884193247994018e-19 1.6816285732800598e-19 2.0730563467326e-19 2.4193508044053597e-19 2.7532764584636397e-19 3.07475320007574e-19 3.36477921436242e-19 3.6139977897811196e-19 3.82574145373056e-19 4.0072360228300793e-19 4.16503439951274e-19 4.30410333134394e-19 4.428095781049199e-19 4.5395271659439e-19 4.639903532063999e-19 4.72988177182944e-19 4.80947790700656e-19 4.87832343696954e-19 4.9360979263915795e-19 4.98262513584294e-19 5.0179691523889795e-19 5.04251449842186e-19 5.05677387046446e-19 5.06137211740404e-19 5.05651752220302e-19 5.041088561217599e-19 5.01367531900986e-19 4.972787771310179e-19 4.9167916979518795e-19 4.8439407264039e-19 4.75232826647178e-19 4.64001568442838e-19 4.5049201506495e-19 4.34475055254852e-19 4.1553252091107e-19 3.93087628445364e-19 3.66392161369656e-19 3.3444315711106195e-19 2.95902798180192e-19 2.48997475043208e-19 1.91474527352706e-19 1.205025885610812e-19 3.2354675382322797e-20 -7.836470221622759e-20 -2.1969526658398196e-19 -4.03024327929432e-19 -6.44054178571758e-19 -9.66421730392362e-19 -1.411884513003186e-18 -2.05483959840402e-18 -3.02816190355902e-18 -4.57930921176612e-18 ] } }