{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.01501 7.477975 7.145142 6.903321 6.713279 6.556706 6.42356 6.307734 6.205236 6.113314 6.029987 5.953785 5.883584 5.818509 5.75786 5.701075 5.64769 5.597321 5.549645 5.504389 5.46132 5.420234 5.380959 5.34334 5.305309 5.266118 5.225694 5.183957 5.140818 5.09618 5.049936 5.001964 4.952132 4.900288 4.846265 4.789869 4.730885 4.669061 4.604111 4.535703 4.463446 4.386882 4.305464 4.218536 4.125297 4.024759 3.91568 3.796474 3.665066 3.51867 3.353422 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.015010000000001e-10 7.477975e-10 7.145142e-10 6.903321e-10 6.713279e-10 6.556706000000001e-10 6.42356e-10 6.307734e-10 6.205236000000001e-10 6.113314e-10 6.029987000000001e-10 5.953785e-10 5.883584e-10 5.818509e-10 5.75786e-10 5.701075e-10 5.64769e-10 5.597321e-10 5.549645e-10 5.504389e-10 5.46132e-10 5.420234e-10 5.380959e-10 5.343340000000001e-10 5.305309e-10 5.266118e-10 5.225694e-10 5.183957000000001e-10 5.140818e-10 5.09618e-10 5.049936e-10 5.001964e-10 4.952132e-10 4.900288e-10 4.846265e-10 4.789869000000001e-10 4.730885e-10 4.669061e-10 4.604111e-10 4.535703e-10 4.4634460000000005e-10 4.386882e-10 4.3054639999999997e-10 4.2185360000000006e-10 4.125297e-10 4.024759000000001e-10 3.91568e-10 3.7964740000000003e-10 3.665066e-10 3.51867e-10 3.3534220000000003e-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" [ 0.761889 1.06228 1.27927 1.45364 1.60003 1.72333 1.82883 1.91998 1.99923 2.06839 2.12881 2.18231 2.23164 2.27493 2.31276 2.3456 2.37389 2.39796 2.41813 2.43466 2.44778 2.45765 2.46214 2.46351 2.46203 2.45724 2.44858 2.43533 2.41668 2.39163 2.35898 2.31728 2.26476 2.20019 2.12014 2.02127 1.89944 1.74944 1.56462 1.33486 1.05216 0.700303 0.259788 -0.295672 -1.00201 -1.9116 -3.08952 -4.63522 -6.67744 -9.40038 -13.0015 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.220680753501626e-19 1.7019601947655197e-19 2.0496165025771798e-19 2.32898804224776e-19 2.56353067969902e-19 2.76107905867122e-19 2.93010869355822e-19 3.0761470937473196e-19 3.20311959199182e-19 3.3139261279992595e-19 3.41072964022554e-19 3.49644609014454e-19 3.5754814634997597e-19 3.6448396899856196e-19 3.7054500320498394e-19 3.7580655127104e-19 3.8033910896862595e-19 3.8419554812666397e-19 3.87427138397442e-19 3.9007553637344397e-19 3.9217759211725194e-19 3.9375894045501e-19 3.94478317763676e-19 3.9469781596253394e-19 3.9446069382070195e-19 3.93693251213016e-19 3.92305766247972e-19 3.90182882207922e-19 3.8719482278551195e-19 3.83181370317342e-19 3.7795026360733196e-19 3.7126918704355193e-19 3.6285455536178395e-19 3.5250930083604597e-19 3.39683876880876e-19 3.2384315650051797e-19 3.04323838568496e-19 2.80291189058496e-19 2.5067976050890796e-19 2.1386815016612397e-19 1.6857461672294398e-19 1.1220091033201019e-19 4.16226263393592e-20 -4.73718769728048e-20 -1.6053970090343401e-19 -3.0627208535543996e-19 -4.949956754275679e-19 -7.42644117744948e-19 -1.069843834293696e-18 -1.506106918672092e-18 -2.0830699506951e-18 ] } }