{ "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 5.280081 5.253319 5.225075 5.195175 5.163414 5.129544 5.093265 5.054208 5.011912 4.965791 4.915083 4.858775 4.795473 4.723191 4.638954 4.538008 4.412039 4.24441 ] "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 5.280081e-10 5.253319000000001e-10 5.225075e-10 5.195175e-10 5.163414e-10 5.129544e-10 5.093265e-10 5.054208e-10 5.011912e-10 4.965791000000001e-10 4.915083000000001e-10 4.858775e-10 4.795473e-10 4.723191e-10 4.638954e-10 4.5380079999999997e-10 4.4120390000000004e-10 4.2444100000000004e-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 3.08631 3.0842 3.08035 3.07444 3.06611 3.05487 3.04011 3.021 2.99654 2.96543 2.92533 2.87223 2.80035 2.69216 2.51327 2.21373 1.69135 0.691544 ] "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 4.94481376728054e-19 4.941433174582799e-19 4.9352647945419e-19 4.92579593063496e-19 4.91244979927374e-19 4.89444133390758e-19 4.87079320678974e-19 4.840175611314e-19 4.800986370846359e-19 4.75114265576262e-19 4.68689537273922e-19 4.60181979347382e-19 4.486655337021899e-19 4.3133158469894393e-19 4.0267024689331795e-19 3.54678647998482e-19 2.7098414499158995e-19 1.107975638182896e-19 ] } }