{ "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" [ 7.95826 7.425028 7.094552 6.854443 6.665747 6.510283 6.37808 6.263074 6.161302 6.070031 5.987294 5.911632 5.841928 5.777314 5.717095 5.660712 5.607705 5.557692 5.510354 5.465419 5.422654 5.38186 5.342862 5.30551 5.267748 5.228835 5.188697 5.147255 5.104422 5.0601 5.014182 4.96655 4.917071 4.865594 4.811953 4.755957 4.697389 4.636003 4.571513 4.503589 4.431844 4.355821 4.27498 4.188668 4.096089 3.996262 3.887955 3.769592 3.639114 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.95826e-10 7.425028e-10 7.094552000000001e-10 6.854443e-10 6.665747e-10 6.510283000000001e-10 6.37808e-10 6.263074e-10 6.161302e-10 6.070031e-10 5.987294000000001e-10 5.911632e-10 5.841928000000001e-10 5.777314e-10 5.717095e-10 5.660712000000001e-10 5.607705000000001e-10 5.557692000000001e-10 5.510354000000001e-10 5.465419e-10 5.422654e-10 5.381859999999999e-10 5.342862000000001e-10 5.30551e-10 5.267748e-10 5.228835e-10 5.188697000000001e-10 5.147255000000001e-10 5.104422e-10 5.060100000000001e-10 5.014182000000001e-10 4.96655e-10 4.917071000000001e-10 4.865594e-10 4.811953e-10 4.755957000000001e-10 4.697389e-10 4.6360029999999997e-10 4.5715130000000007e-10 4.503589e-10 4.431844e-10 4.355821e-10 4.2749800000000006e-10 4.188668e-10 4.096089e-10 3.996262e-10 3.887955e-10 3.769592e-10 3.639114e-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" [ 1.29959 1.6899 1.91101 2.07247 2.21489 2.35108 2.47722 2.58316 2.67117 2.74503 2.80746 2.86045 2.90518 2.94261 2.97368 2.99945 3.02087 3.0387 3.05347 3.06548 3.07485 3.08158 3.08562 3.08695 3.08552 3.08096 3.07292 3.06109 3.04516 3.02463 2.99894 2.96746 2.92888 2.8811 2.82202 2.75004 2.66438 2.56448 2.44812 2.29475 2.06641 1.71173 1.1527 0.283442 -1.04849 -3.10016 -6.33515 -11.715 -21.439 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0821727317800598e-19 2.7075182937966e-19 3.06177556934034e-19 3.32046300866598e-19 3.5486450048802596e-19 3.7668454406647197e-19 3.96894400127748e-19 4.1386785938834394e-19 4.27968615944178e-19 4.39802292562902e-19 4.49804681288964e-19 4.5829461527253e-19 4.65461151356412e-19 4.71458098497474e-19 4.7643606129931195e-19 4.805648704851299e-19 4.83996732835158e-19 4.8685341377358e-19 4.892198286619979e-19 4.91144042799432e-19 4.9264528230549e-19 4.93723547180172e-19 4.94370826540308e-19 4.9458391603263e-19 4.943548047739679e-19 4.93624212228864e-19 4.92336062215128e-19 4.90440687257106e-19 4.878884198791439e-19 4.84599151249542e-19 4.80483159476796e-19 4.754395074329639e-19 4.69258309978992e-19 4.6160311002174e-19 4.52137450468068e-19 4.406049830565359e-19 4.26880738009692e-19 4.1087499343603198e-19 3.9223206612280795e-19 3.6765948308715e-19 3.3107538182639398e-19 2.74249380971682e-19 1.8468290060118e-19 4.54124149494228e-20 -1.6798661789826598e-19 -4.967003913661439e-19 -1.0150029302885098e-18 -1.876949926731e-18 -3.4349064856325996e-18 ] } }