{ "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 5.999483 5.955164 5.909451 5.862252 5.813469 5.76299 5.710695 5.656446 5.600093 5.541466 5.480374 5.416599 5.349897 5.279983 5.206535 5.129176 5.047464 4.960882 4.868811 4.770509 4.66507 4.551376 4.428025 4.293221 4.144619 3.979067 3.792197 3.577695 3.325946 3.02124 ] "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 5.999483e-10 5.955164e-10 5.909451e-10 5.862252e-10 5.813469000000001e-10 5.762990000000001e-10 5.710695e-10 5.656446e-10 5.600093e-10 5.541466e-10 5.480374e-10 5.416599e-10 5.349897e-10 5.279983e-10 5.206535e-10 5.129176000000001e-10 5.047464e-10 4.960882e-10 4.868811e-10 4.770509e-10 4.665070000000001e-10 4.5513760000000005e-10 4.428025e-10 4.293221e-10 4.1446189999999997e-10 3.979067e-10 3.792197e-10 3.577695e-10 3.325946e-10 3.02124e-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 3.92645 3.92049 3.90966 3.89309 3.86971 3.83825 3.79718 3.74463 3.67833 3.5955 3.49267 3.36554 3.20872 3.01535 2.7767 2.48143 2.11473 1.65697 1.08169 0.352707 -0.58047 -1.78984 -3.38066 -5.5115 -8.42955 -12.5369 -18.5216 -27.6404 -42.3881 -68.3098 ] "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 6.2908664445693e-19 6.28131747183066e-19 6.26396589888444e-19 6.23741783205906e-19 6.199958942356139e-19 6.1495544654505e-19 6.083753071092119e-19 5.99955868897542e-19 5.893334378141219e-19 5.760626087546999e-19 5.59587426427278e-19 5.39218954879236e-19 5.140936209048479e-19 4.8311233133319e-19 4.4487638596278e-19 3.97568916490662e-19 3.3881709932188203e-19 2.65475861723898e-19 1.73305844323146e-19 5.65098914048238e-20 -9.3001547073798e-20 -2.86763982659856e-19 -5.41641445949844e-19 -8.830396518290998e-19 -1.35056280451347e-18 -2.00863282427946e-18 -2.96748747442944e-18 -4.42848030344136e-18 -6.7913223379655396e-18 -1.0944436543321318e-17 ] } }