{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 5.83554 5.444537 5.202209 5.026145 4.88778 4.773783 4.676842 4.592512 4.517886 4.45096 4.390291 4.33481 4.283699 4.236319 4.192162 4.150818 4.11195 4.075278 4.040566 4.007616 3.976258 3.946345 3.917749 3.89036 3.862671 3.834137 3.804705 3.774317 3.742909 3.710409 3.676739 3.641812 3.605531 3.567785 3.528451 3.487391 3.444446 3.399433 3.352145 3.302338 3.24973 3.193985 3.134707 3.071417 3.003532 2.930332 2.850914 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.83554e-10 5.444537000000001e-10 5.202209e-10 5.026145e-10 4.88778e-10 4.773783e-10 4.676842e-10 4.592512e-10 4.517886e-10 4.4509600000000006e-10 4.3902910000000006e-10 4.3348100000000005e-10 4.2836990000000006e-10 4.236319e-10 4.192162e-10 4.1508180000000003e-10 4.1119500000000005e-10 4.075278e-10 4.040566e-10 4.0076159999999996e-10 3.976258e-10 3.946345e-10 3.9177490000000004e-10 3.89036e-10 3.862671e-10 3.834137e-10 3.804705e-10 3.774317e-10 3.7429090000000004e-10 3.710409e-10 3.6767390000000004e-10 3.641812e-10 3.605531e-10 3.567785e-10 3.528451e-10 3.4873910000000005e-10 3.444446e-10 3.3994330000000004e-10 3.352145e-10 3.3023380000000003e-10 3.24973e-10 3.1939850000000004e-10 3.134707e-10 3.071417e-10 3.003532e-10 2.930332e-10 2.8509140000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.77951 1.19264 1.51701 1.80072 2.06268 2.30515 2.52463 2.7198 2.89236 3.04492 3.17991 3.29934 3.40484 3.49782 3.57947 3.65082 3.7127 3.76574 3.81033 3.8466 3.87457 3.89436 3.90611 3.90999 3.90579 3.89219 3.86769 3.83043 3.77619 3.70135 3.6021 3.47388 3.31118 3.10717 2.85326 2.53844 2.14835 1.66405 1.06035 0.303749 -0.650364 -1.86216 -3.41405 -5.4215 -8.04938 -11.5377 -16.247 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.24891270796934e-19 1.9108199407737599e-19 2.43051797554434e-19 2.88507150837648e-19 3.3047776994191197e-19 3.6932574678650994e-19 4.04490319549542e-19 4.3576000091532e-19 4.63407160911624e-19 4.878499676399279e-19 5.094777500222939e-19 5.28612545562156e-19 5.45515509050856e-19 5.60412547393788e-19 5.73494319610398e-19 5.84925849893988e-19 5.948401189051799e-19 6.03338063771916e-19 6.104821693829219e-19 6.162932640344399e-19 6.207745520797379e-19 6.239452596384239e-19 6.25827817183374e-19 6.26449461717366e-19 6.25776547531086e-19 6.235975873088459e-19 6.19672254555546e-19 6.137025444172619e-19 6.05012338354446e-19 5.9302164842559e-19 5.7712004533314e-19 5.56576936531992e-19 5.305095226968119e-19 4.97823517186578e-19 4.57142650272684e-19 4.06702925481096e-19 3.4420361716539e-19 2.6661020278076996e-19 1.6988679938618996e-19 4.8665955040086594e-20 -1.041998004394776e-19 -2.98350924076944e-19 -5.4699111373077e-19 -8.686200621231e-19 -1.2896528554186919e-18 -1.8485433350101798e-18 -2.6030563772598e-18 ] } }