{ "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" [ 7.65449 7.14161 6.823748 6.592804 6.41131 6.261779 6.134622 6.024006 5.926119 5.838331 5.758752 5.685977 5.618934 5.556786 5.498865 5.444634 5.39365 5.345547 5.300016 5.256795 5.215663 5.176426 5.138917 5.10299 5.078532 5.052791 5.025625 4.996867 4.966318 4.933741 4.898846 4.86128 4.820598 4.776238 4.727465 4.673306 4.61242 4.542897 4.461875 4.364782 4.243621 4.08239 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.654490000000001e-10 7.141610000000001e-10 6.823748000000001e-10 6.592804e-10 6.41131e-10 6.261779e-10 6.134622e-10 6.024006e-10 5.926119e-10 5.838331e-10 5.758752e-10 5.685977000000001e-10 5.618934000000001e-10 5.556786e-10 5.498865000000001e-10 5.444633999999999e-10 5.39365e-10 5.345547e-10 5.300016e-10 5.256795e-10 5.215663e-10 5.176426000000001e-10 5.138917e-10 5.102990000000001e-10 5.078532e-10 5.052791000000001e-10 5.025625e-10 4.996867e-10 4.966318e-10 4.933741000000001e-10 4.898846e-10 4.86128e-10 4.820598e-10 4.776238e-10 4.727465e-10 4.673306000000001e-10 4.61242e-10 4.542897e-10 4.461875e-10 4.364782e-10 4.243621e-10 4.08239e-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" [ 0.989399 1.25971 1.47294 1.70217 1.94065 2.15409 2.32729 2.46373 2.57356 2.66648 2.7494 2.82617 2.89828 2.9657 3.02767 3.08329 3.13183 3.17293 3.20653 3.23286 3.25236 3.26555 3.27304 3.2754 3.2743 3.27077 3.26442 3.25476 3.24125 3.2232 3.19976 3.1699 3.13229 3.08525 3.02658 2.9532 2.85976 2.73715 2.56946 2.32736 1.94987 1.27638 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.585191959502966e-19 2.01827792761614e-19 2.3599100512839596e-19 2.72717700109578e-19 3.1092640847721e-19 3.4512326655330596e-19 3.72872965854186e-19 3.9473306384848198e-19 4.1232976981970397e-19 4.2721719510283197e-19 4.4050244375196e-19 4.52802353771178e-19 4.64355649478952e-19 4.7515752434538e-19 4.85086212946278e-19 4.939975193845859e-19 5.0177448476602195e-19 5.08359430731762e-19 5.137427442220019e-19 5.17961275299324e-19 5.210855197356239e-19 5.2319879071587e-19 5.24398821014736e-19 5.2477693470036e-19 5.2460069527062e-19 5.24035126918818e-19 5.230177447562279e-19 5.21470042127784e-19 5.193055014952499e-19 5.1641357267088e-19 5.12658070640784e-19 5.0787397121166e-19 5.018481848911859e-19 4.9431154600485e-19 4.8491157569317195e-19 4.731548035528799e-19 4.58184065084784e-19 4.3853977737531e-19 4.1167287739976393e-19 3.72884181090624e-19 3.12403615333758e-19 2.04498621210492e-19 ] } }