{ "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" [ "Bk" "Bk" "Bk" "Bk" "Bk" "Bk" "Bk" "Bk" ] } "a" { "source-value" [ 11.2077 10.456741 9.991326 9.653178 9.387434 9.168491 8.982307 8.820343 8.677016 8.548477 8.431958 8.325401 8.227237 8.136238 8.051431 7.972026 7.897376 7.826942 7.760275 7.696992 7.636766 7.579314 7.524394 7.47179 7.41861 7.363808 7.307282 7.248919 7.188596 7.126178 7.061512 6.994432 6.92475 6.852255 6.776712 6.697853 6.615372 6.528922 6.4381 6.342442 6.241403 6.134341 6.020492 5.898937 5.768558 5.627972 5.475443 5.308753 5.125 4.92029 4.689218 4.423977 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.12077e-09 1.0456741e-09 9.991326e-10 9.653178e-10 9.387434e-10 9.168491e-10 8.982307000000001e-10 8.820342999999999e-10 8.677016e-10 8.548477e-10 8.431958e-10 8.325400999999999e-10 8.227237000000001e-10 8.136238000000001e-10 8.051430999999999e-10 7.972026e-10 7.897376000000001e-10 7.826942e-10 7.760275e-10 7.696992e-10 7.636766e-10 7.579314e-10 7.524394000000001e-10 7.471790000000001e-10 7.418610000000001e-10 7.363808e-10 7.307282e-10 7.248919000000001e-10 7.188596000000001e-10 7.126178000000001e-10 7.061512e-10 6.994432e-10 6.92475e-10 6.852255e-10 6.776712e-10 6.697853000000001e-10 6.615372e-10 6.528922e-10 6.438100000000001e-10 6.342442000000001e-10 6.241403000000001e-10 6.134341e-10 6.020492000000001e-10 5.898937000000001e-10 5.768558e-10 5.627972e-10 5.475443000000001e-10 5.308753000000001e-10 5.125e-10 4.92029e-10 4.689218e-10 4.423977e-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" [ 0.630397 0.944929 1.22136 1.47473 1.71155 1.93339 2.14267 2.33939 2.52418 2.69741 2.85945 3.01063 3.15054 3.27911 3.39674 3.50322 3.59796 3.68075 3.75138 3.80962 3.85524 3.88796 3.90811 3.91492 3.90724 3.88156 3.83313 3.75628 3.64305 3.48358 3.2651 2.97104 2.57954 2.06187 1.37896 0.478041 -0.712638 -2.29532 -4.41381 -7.27401 -11.182 -16.5977 -24.2365 -35.236 -51.4744 -76.1805 -115.173 -179.569 -292.124 -503.657 -940.973 -1970.39 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.010007343543698e-19 1.513943164588986e-19 1.95683445370224e-19 2.36277794745882e-19 2.7422054179226996e-19 3.09763228240926e-19 3.4329358083727796e-19 3.7481159958132596e-19 4.0441822160101198e-19 4.32172727431794e-19 4.581343976091299e-19 4.82356103961942e-19 5.047721572482359e-19 5.25371342231574e-19 5.44217745977316e-19 5.61277722776148e-19 5.76456744206664e-19 5.8972116455955e-19 6.01037338125492e-19 6.103684148419079e-19 6.176775446462159e-19 6.22919866592664e-19 6.26148252510174e-19 6.27239334797928e-19 6.260088631430159e-19 6.21894473546904e-19 6.14135132108442e-19 6.018224046761519e-19 5.8368095864937e-19 5.58131047866972e-19 5.231266927673399e-19 4.76013086667936e-19 4.13287871446836e-19 3.3034799363455795e-19 2.2093374912206397e-19 7.659061202939939e-20 -1.1417719521004918e-19 -3.6775080715528793e-19 -7.0717032489155395e-19 -1.1654248857482338e-18 -1.7915539121388e-18 -2.6592447118141796e-18 -3.8831153989940994e-18 -5.645429587562399e-18 -8.24710809291696e-18 -1.2205461706643698e-17 -1.84527489467682e-17 -2.87701255990746e-17 -4.6803424703061604e-17 -8.069474769505379e-17 -1.5076049538248818e-16 -3.15691281786726e-16 ] } }