{ "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" [ 9.06373 8.456427 8.080045 7.806584 7.591676 7.414616 7.264049 7.133068 7.017159 6.91321 6.81898 6.732807 6.653422 6.579831 6.511247 6.447032 6.386662 6.329703 6.275789 6.224612 6.175906 6.129445 6.085031 6.04249 6.013529 5.983049 5.950881 5.916829 5.880655 5.842081 5.800762 5.75628 5.708108 5.65558 5.597828 5.533698 5.461603 5.37928 5.283341 5.168372 5.024905 4.83399 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.06373e-10 8.456427e-10 8.080045000000001e-10 7.806584e-10 7.591676e-10 7.414616e-10 7.264049e-10 7.133068e-10 7.017159000000001e-10 6.913210000000001e-10 6.81898e-10 6.732807000000001e-10 6.653422e-10 6.579831000000001e-10 6.511247000000001e-10 6.447032e-10 6.386662000000001e-10 6.329703e-10 6.275789e-10 6.224612e-10 6.175906e-10 6.129444999999999e-10 6.085031e-10 6.04249e-10 6.013529e-10 5.983049e-10 5.950881e-10 5.916829e-10 5.880655e-10 5.842081e-10 5.800762e-10 5.756280000000001e-10 5.708108000000001e-10 5.655579999999999e-10 5.597828e-10 5.533698000000001e-10 5.461603e-10 5.37928e-10 5.283341e-10 5.168372e-10 5.024905e-10 4.83399e-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" [ 1.94217 2.30529 2.56281 2.76573 2.93347 3.07585 3.19865 3.30563 3.3994 3.48189 3.55454 3.61848 3.67463 3.72374 3.76643 3.80321 3.83454 3.8608 3.88233 3.89942 3.91235 3.92133 3.92658 3.9283 3.92747 3.92474 3.91968 3.91175 3.90023 3.88422 3.86251 3.83348 3.79491 3.7437 3.6754 3.58339 3.45743 3.28096 3.02536 2.63698 2.00267 0.837836 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.11169939325578e-19 3.6934817725938593e-19 4.1060742993815393e-19 4.43118798195282e-19 4.69993709053998e-19 4.9280549996889e-19 5.1248022903441e-19 5.29620314664942e-19 5.446439249619599e-19 5.57860280015826e-19 5.695000932618359e-19 5.797444106596319e-19 5.88740632459542e-19 5.966089219091159e-19 6.03448613959662e-19 6.09341419619514e-19 6.143610390138359e-19 6.1856835485472e-19 6.220178411477219e-19 6.24755961015228e-19 6.2682757540298995e-19 6.28266330020322e-19 6.29107472753172e-19 6.293830471342199e-19 6.292500664735979e-19 6.288126722525159e-19 6.28001970875712e-19 6.2673144480495e-19 6.24885737322582e-19 6.22320652531548e-19 6.188423270591339e-19 6.14191208290632e-19 6.0801161301329395e-19 5.998068664705799e-19 5.888640000603599e-19 5.74122372850926e-19 5.539413559690619e-19 5.25667744908864e-19 4.847161101438239e-19 4.2249077403253197e-19 3.20863107961278e-19 1.342361262324024e-19 ] } }