{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.98503 8.383 8.009886 7.738798 7.525756 7.350234 7.200974 7.07113 6.956228 6.85318 6.759769 6.674344 6.595647 6.522696 6.454708 6.39105 6.331204 6.274739 6.221293 6.17056 6.122278 6.07622 6.032191 5.99002 5.947387 5.903453 5.858136 5.811348 5.762988 5.712948 5.661106 5.607329 5.551466 5.493348 5.432786 5.369565 5.303442 5.234136 5.161326 5.084638 5.003636 4.917806 4.826535 4.729086 4.624563 4.511857 4.389577 4.255944 4.108632 3.944518 3.759271 3.546632 3.29707 2.99501 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.985030000000001e-10 8.383e-10 8.009886e-10 7.738798000000001e-10 7.525756e-10 7.350234000000001e-10 7.200974e-10 7.071130000000001e-10 6.956228000000001e-10 6.853180000000001e-10 6.759769e-10 6.674344e-10 6.595647e-10 6.522696e-10 6.454708e-10 6.39105e-10 6.331204e-10 6.274739e-10 6.221293000000001e-10 6.17056e-10 6.122278e-10 6.07622e-10 6.032191e-10 5.99002e-10 5.947387000000001e-10 5.903453e-10 5.858136e-10 5.811348e-10 5.762988e-10 5.712948e-10 5.661106e-10 5.607329e-10 5.551465999999999e-10 5.493348e-10 5.432786000000001e-10 5.369565e-10 5.303442e-10 5.234136000000001e-10 5.161326e-10 5.084638e-10 5.003636e-10 4.917806e-10 4.826535e-10 4.729085999999999e-10 4.6245630000000003e-10 4.511857e-10 4.3895770000000004e-10 4.2559440000000003e-10 4.108632e-10 3.944518e-10 3.759271e-10 3.546632e-10 3.29707e-10 2.99501e-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" [ 1.02564 1.30337 1.41147 1.49668 1.61086 1.71697 1.80793 1.89062 1.96708 2.03639 2.09754 2.15144 2.20992 2.26891 2.32264 2.36783 2.40363 2.43157 2.45307 2.46923 2.48086 2.48858 2.49284 2.49415 2.49285 2.48887 2.48202 2.47202 2.45837 2.44016 2.41582 2.38256 2.33711 2.27799 2.20036 2.09684 1.96225 1.79522 1.59372 1.35374 1.07482 0.744027 0.342706 -0.147846 -0.741717 -1.38525 -2.0563 -2.77599 -3.56984 -4.50757 -5.76448 -7.71544 -11.3262 -19.1861 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.64325644289576e-19 2.0882289594565798e-19 2.26142425359198e-19 2.3979457245751197e-19 2.5808822526452397e-19 2.75088921527898e-19 2.8966232019076197e-19 3.0291071877730796e-19 3.1516096132087195e-19 3.2626564757112595e-19 3.3606295768803595e-19 3.44698689745296e-19 3.5406821870092795e-19 3.6351945866489395e-19 3.7212795371937596e-19 3.7936818992842197e-19 3.85103982278142e-19 3.8958046379353795e-19 3.9302514355663797e-19 3.95614260997182e-19 3.9747759242252396e-19 3.9871447278397193e-19 3.99397000030056e-19 3.9960688516910996e-19 3.9939860220668995e-19 3.9876093590635797e-19 3.9766344491206797e-19 3.96061268278068e-19 3.9387429717265795e-19 3.90956733522144e-19 3.8705703559498797e-19 3.8172819611030394e-19 3.7444630330877396e-19 3.6497423504856595e-19 3.5253653783882395e-19 3.3595080532365595e-19 3.1438711000665e-19 2.87625953688948e-19 2.55342094513848e-19 2.16893059651116e-19 1.72205148975588e-19 1.1920626744651178e-19 5.490755455316039e-20 -2.36875406630364e-20 -1.1883616464405778e-19 -2.2194151822485e-19 -3.2945558124941993e-19 -4.44762631421766e-19 -5.71951423511856e-19 -7.22192333011938e-19 -9.23571516316032e-19 -1.236149768902896e-18 -1.81465729920108e-18 -3.0739521117587398e-18 ] } }