{ "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" [ 8.14753 7.601616 7.26328 7.017462 6.824278 6.665116 6.529768 6.412028 6.307836 6.214394 6.129689 6.052227 5.980866 5.914714 5.853063 5.795339 5.741072 5.68987 5.641406 5.595402 5.55162 5.509856 5.469931 5.43169 5.405657 5.378258 5.349342 5.318731 5.286214 5.251539 5.214397 5.174411 5.131109 5.08389 5.031976 4.974328 4.909521 4.83552 4.749279 4.645931 4.516967 4.34535 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14753e-10 7.601616e-10 7.26328e-10 7.017462e-10 6.824278e-10 6.665116e-10 6.529768e-10 6.412028000000001e-10 6.307836e-10 6.214394000000001e-10 6.129689000000001e-10 6.052227e-10 5.980866e-10 5.914714000000001e-10 5.853063e-10 5.795339000000001e-10 5.741072e-10 5.68987e-10 5.641406e-10 5.595402e-10 5.55162e-10 5.509856e-10 5.469931e-10 5.43169e-10 5.405657e-10 5.378258e-10 5.349342e-10 5.318731e-10 5.286214e-10 5.251539e-10 5.214397e-10 5.174411000000001e-10 5.131109000000001e-10 5.08389e-10 5.031976e-10 4.974328e-10 4.909521e-10 4.83552e-10 4.749279e-10 4.645931e-10 4.5169670000000004e-10 4.34535e-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" [ 1.49786 1.77792 1.97652 2.13302 2.26239 2.3722 2.4669 2.54941 2.62173 2.68535 2.74138 2.79069 2.834 2.87187 2.90479 2.93316 2.95727 2.97751 2.99411 3.00729 3.01726 3.02419 3.02824 3.02956 3.02892 3.02682 3.02292 3.0168 3.00792 2.99557 2.97883 2.95643 2.92669 2.8872 2.83453 2.76356 2.66642 2.53032 2.3332 2.03367 1.54448 0.646133 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.3998362732314883e-19 2.848541857652736e-19 3.1667341345436163e-19 3.4174747756988166e-19 3.624748365131712e-19 3.80068337986176e-19 3.95240950585152e-19 4.084605098833728e-19 4.200474512049984e-19 4.3024049886652807e-19 4.392174944728704e-19 4.471178273900353e-19 4.5405685433472e-19 4.601242971976896e-19 4.653986626333632e-19 4.699440377065728e-19 4.738068855393216e-19 4.770496910198209e-19 4.797093042103488e-19 4.818209729965632e-19 4.834183430875008e-19 4.845286514857152e-19 4.851775330171392e-19 4.853890203310849e-19 4.852864810273536e-19 4.849500239369856e-19 4.843251750548737e-19 4.83344642962944e-19 4.819219101236736e-19 4.799432219969856e-19 4.772611783337664e-19 4.736723027031744e-19 4.689074294329152e-19 4.625804339573761e-19 4.541417696956224e-19 4.427711222178048e-19 4.2720757852335363e-19 4.0540195471426565e-19 3.73819849165056e-19 3.258298528422336e-19 2.4745297472931844e-19 1.0352191865273664e-19 ] } }