{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 6.76629 6.312924 6.031945 5.827799 5.667366 5.535186 5.422784 5.325003 5.238475 5.160874 5.090529 5.026199 4.966935 4.911998 4.860799 4.812861 4.767793 4.725271 4.685023 4.646818 4.610459 4.575774 4.542618 4.51086 4.478754 4.445669 4.411543 4.376308 4.339891 4.302207 4.263167 4.22267 4.180601 4.136835 4.091228 4.043619 3.993824 3.941632 3.886801 3.829051 3.768051 3.703416 3.634683 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.76629e-10 6.312924e-10 6.031945e-10 5.827799e-10 5.667366000000001e-10 5.535186e-10 5.422784e-10 5.325003e-10 5.238475e-10 5.160874e-10 5.090529e-10 5.026199e-10 4.966935e-10 4.911998e-10 4.860799e-10 4.812861e-10 4.767793000000001e-10 4.725271e-10 4.685023e-10 4.646818e-10 4.6104589999999996e-10 4.5757740000000004e-10 4.542618e-10 4.51086e-10 4.4787540000000004e-10 4.445669e-10 4.411543e-10 4.376308e-10 4.339891e-10 4.302207e-10 4.263167e-10 4.22267e-10 4.1806010000000003e-10 4.136835e-10 4.0912280000000004e-10 4.0436189999999997e-10 3.993824e-10 3.941632e-10 3.8868010000000003e-10 3.829051e-10 3.768051e-10 3.703416e-10 3.634683e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 7.13498 10.6611 13.7814 16.6369 19.2898 21.7717 24.1112 26.3127 28.3809 30.3246 32.1422 33.8338 35.4006 36.8438 38.1591 39.3449 40.3998 41.3242 42.1127 42.7627 43.2715 43.6384 43.8645 43.9405 43.8547 43.5676 43.0262 42.1633 40.8932 39.1055 36.6588 33.3731 28.9982 23.2104 15.5764 5.50432 -7.81527 -25.5114 -49.1963 -81.185 -124.896 -185.478 -270.915 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.143149824005732e-18 1.7080965312737398e-18 2.20802370638076e-18 2.66552524421946e-18 3.09056668345332e-18 3.48821090224578e-18 3.86304012577008e-18 4.21575931174518e-18 4.5471214831890596e-18 4.8585365555396395e-18 5.14974818053548e-18 5.420772379942919e-18 5.671801414958039e-18 5.90302754677692e-18 6.11376183944694e-18 6.30374794470666e-18 6.4727615578273195e-18 6.620866765874279e-18 6.747198393465179e-18 6.85133987467518e-18 6.9328586218131e-18 6.99164248251456e-18 7.0278676962093e-18 7.0400442386277e-18 7.02629756310798e-18 6.980299071945839e-18 6.89355722898108e-18 6.7553054072332195e-18 6.5518129529488796e-18 6.265391836088699e-18 5.8733872790479196e-18 5.34696010241454e-18 4.64602384680588e-18 3.71871605457936e-18 2.4956144121837597e-18 8.81889289005888e-19 -1.252144298240118e-18 -4.08737689806276e-18 -7.882116233925419e-18 -1.3007271003129e-17 -2.00105452880064e-17 -2.97168517721052e-17 -4.3405368280011e-17 ] } }