{ "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" [ 9.75987 9.105923 8.700632 8.406167 8.174753 7.984094 7.821962 7.680921 7.55611 7.444176 7.342709 7.249918 7.164435 7.085192 7.011341 6.942194 6.877187 6.815852 6.757798 6.70269 6.650244 6.600214 6.552388 6.50658 6.46027 6.412547 6.363323 6.312499 6.259969 6.205614 6.149302 6.090887 6.030206 5.967076 5.901292 5.832619 5.760794 5.685511 5.606422 5.523121 5.435133 5.341902 5.24276 5.136908 5.023371 4.900945 4.76812 4.622962 4.462947 4.284681 4.083459 3.852482 3.581398 3.25329 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.75987e-10 9.105923000000001e-10 8.700632000000001e-10 8.406167e-10 8.174753000000001e-10 7.984094000000001e-10 7.821962000000001e-10 7.680921e-10 7.55611e-10 7.444176e-10 7.342709000000001e-10 7.249918000000001e-10 7.164435e-10 7.085192e-10 7.011341e-10 6.942194e-10 6.877187000000001e-10 6.815851999999999e-10 6.757798000000001e-10 6.70269e-10 6.650244e-10 6.600214000000001e-10 6.552388e-10 6.50658e-10 6.460270000000001e-10 6.412547e-10 6.363323e-10 6.312499e-10 6.259969000000001e-10 6.205614e-10 6.149302e-10 6.090887e-10 6.030206e-10 5.967076e-10 5.901292e-10 5.832619e-10 5.760794e-10 5.685511e-10 5.606422e-10 5.523121e-10 5.435133e-10 5.341902000000001e-10 5.242759999999999e-10 5.136908000000001e-10 5.023371000000001e-10 4.900945e-10 4.768119999999999e-10 4.622962e-10 4.462947e-10 4.2846810000000004e-10 4.083459000000001e-10 3.8524820000000003e-10 3.581398e-10 3.25329e-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 1.34738 1.57646 1.71882 1.83185 1.92431 2.00139 2.06648 2.12193 2.16942 2.21023 2.24532 2.27548 2.30132 2.32335 2.34199 2.35759 2.37046 2.38084 2.38896 2.395 2.39915 2.40154 2.40232 2.4015 2.39889 2.39422 2.38716 2.37735 2.36436 2.34766 2.32665 2.30059 2.26863 2.22969 2.18251 2.12551 2.05676 1.97386 1.8738 1.75272 1.6057 1.42633 1.2061 0.933607 0.593109 0.161781 -0.393695 -1.12625 -2.12345 -3.5416 -5.69038 -9.27921 -16.3073 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.15874075311892e-19 2.5257673764356396e-19 2.7538532420518797e-19 2.9349472669929e-19 3.08308451857254e-19 3.2065802935212593e-19 3.3108659706283197e-19 3.3997066649836194e-19 3.47579403333228e-19 3.5411788617658197e-19 3.59739923985288e-19 3.6457208871343196e-19 3.68712113135688e-19 3.7224170826039e-19 3.75228165506166e-19 3.7772756105520597e-19 3.7978956238316397e-19 3.81452621729256e-19 3.8275358915606397e-19 3.8372130384299996e-19 3.8438620714611e-19 3.8476912736163593e-19 3.8489409713908797e-19 3.8476271865509996e-19 3.84344550553626e-19 3.835963340655479e-19 3.82465197361944e-19 3.8089346208398995e-19 3.78812234636424e-19 3.7613659965764394e-19 3.7277042654960996e-19 3.68595154241406e-19 3.6347459771914196e-19 3.57235721906346e-19 3.49676652547134e-19 3.4054424573333395e-19 3.29529281374584e-19 3.1624723707872395e-19 3.0021585767891996e-19 2.80816702994448e-19 2.5726150212137995e-19 2.28523259837322e-19 1.9323852382673997e-19 1.495803320738838e-19 9.50265381215106e-20 2.59201738025154e-20 -6.307689299226299e-20 -1.8044514340424998e-19 -3.4021419734673e-19 -5.6742687669744e-19 -9.11699387458092e-19 -1.4866933443979141e-18 -2.61271750236282e-18 ] } }