{ "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" [ "W" "W" "W" "W" ] } "a" { "source-value" [ 6.68377 6.235933 5.958382 5.756726 5.598249 5.467682 5.356651 5.260063 5.17459 5.097935 5.028449 4.964903 4.906363 4.852096 4.801521 4.754167 4.709649 4.667646 4.627889 4.59015 4.554234 4.519973 4.48722 4.45585 4.424136 4.391454 4.357744 4.322939 4.286965 4.249741 4.211177 4.171174 4.129618 4.086385 4.041334 3.994306 3.945118 3.893562 3.8394 3.782354 3.722098 3.658251 3.590356 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.68377e-10 6.235933e-10 5.958382e-10 5.756725999999999e-10 5.598249e-10 5.467682e-10 5.356651000000001e-10 5.260063e-10 5.174590000000001e-10 5.097935e-10 5.028449e-10 4.964903e-10 4.906363e-10 4.852096000000001e-10 4.801521e-10 4.754167e-10 4.709649e-10 4.667646000000001e-10 4.6278889999999997e-10 4.5901500000000004e-10 4.554234e-10 4.5199730000000006e-10 4.48722e-10 4.45585e-10 4.424136e-10 4.3914540000000006e-10 4.3577440000000004e-10 4.322939e-10 4.2869650000000005e-10 4.2497410000000005e-10 4.2111770000000003e-10 4.171174e-10 4.129618e-10 4.086385e-10 4.0413340000000003e-10 3.994306e-10 3.945118e-10 3.893562e-10 3.8394e-10 3.782354e-10 3.722098e-10 3.658251e-10 3.590356e-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" [ 9.27844 13.8639 17.9215 21.6348 25.0848 28.3123 31.3545 34.2175 36.9069 39.4347 41.7982 43.998 46.0354 47.9122 49.6227 51.1648 52.5366 53.7387 54.7641 55.6094 56.2711 56.7482 57.0423 57.1412 57.0296 56.6563 55.9524 54.8304 53.1787 50.8541 47.6725 43.3998 37.7108 30.1842 20.257 7.15947 -10.1613 -33.1736 -63.9732 -105.571 -162.414 -241.195 -352.298 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4865699767970958e-18 2.2212416636112597e-18 2.8713408546231e-18 3.4662771041263194e-18 4.01902804285632e-18 4.53613055147982e-18 5.0235447270752996e-18 5.4822478973895e-18 5.91313728133746e-18 6.31813549087998e-18 6.69680993832588e-18 7.049256754273199e-18 7.37568422168436e-18 7.676380732353479e-18 7.95043304559918e-18 8.197504704328319e-18 8.41729129498044e-18 8.609888948153579e-18 8.774176140203939e-18 8.90960813107596e-18 9.015624158947738e-18 9.09206400615588e-18 9.139184020961818e-18 9.155029547872079e-18 9.137149256636639e-18 9.07734000288942e-18 8.964562789622158e-18 8.78479857128736e-18 8.520167056649579e-18 8.147725076309939e-18 7.637976558436499e-18 6.953414548027319e-18 6.041936260944719e-18 4.83604199559828e-18 3.2455292074938e-18 1.147073554582398e-18 -1.62801974310642e-18 -5.3149966785662394e-18 -1.0249636624220879e-17 -1.6914338942801397e-17 -2.6021591583447596e-17 -3.8643699323762995e-17 -5.64443623804932e-17 ] } }