{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 10.6049 9.894334 9.453953 9.133993 8.882544 8.675378 8.499208 8.345956 8.210338 8.088713 7.978461 7.877636 7.784752 7.698649 7.618403 7.543269 7.472634 7.405989 7.342908 7.283029 7.226042 7.171681 7.119714 7.06994 7.01962 6.967766 6.914279 6.859055 6.801977 6.742915 6.681728 6.618255 6.55232 6.483725 6.412244 6.337626 6.259581 6.17778 6.091843 6.00133 5.905724 5.80442 5.696694 5.581677 5.45831 5.325284 5.180958 5.023233 4.849363 4.655662 4.437017 4.186042 3.891487 3.53497 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0604900000000001e-09 9.894334e-10 9.453953e-10 9.133993000000001e-10 8.882544e-10 8.675378e-10 8.499207999999999e-10 8.345955999999999e-10 8.210338000000001e-10 8.088713e-10 7.978461000000001e-10 7.877636e-10 7.784752e-10 7.698649e-10 7.618403e-10 7.543269e-10 7.472634e-10 7.405989000000001e-10 7.342908000000001e-10 7.283029000000001e-10 7.226042e-10 7.171681e-10 7.119714e-10 7.06994e-10 7.01962e-10 6.967766e-10 6.914279e-10 6.859055e-10 6.801977e-10 6.742915e-10 6.681727999999999e-10 6.618255000000001e-10 6.55232e-10 6.483725e-10 6.412244e-10 6.337626e-10 6.259581e-10 6.177780000000001e-10 6.091843e-10 6.00133e-10 5.905724e-10 5.80442e-10 5.696694e-10 5.581677e-10 5.45831e-10 5.325284e-10 5.180958000000001e-10 5.023233e-10 4.849363e-10 4.6556620000000006e-10 4.437017e-10 4.186042e-10 3.8914870000000005e-10 3.53497e-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" [ 0.546571 0.717133 0.855988 0.974046 1.0765 1.16644 1.24596 1.31656 1.37937 1.43529 1.48501 1.52913 1.56815 1.60246 1.63243 1.65836 1.68053 1.69918 1.71451 1.7267 1.73595 1.74238 1.74615 1.74738 1.74606 1.74176 1.73395 1.72198 1.70507 1.68231 1.65257 1.61449 1.56642 1.50634 1.43174 1.3395 1.22573 1.08549 0.912476 0.698579 0.433192 0.102316 -0.312843 -0.837896 -1.50843 -2.37494 -3.51089 -5.02624 -7.09137 -9.98131 -14.163 -20.481 -30.5934 -48.1385 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.75703285022014e-20 1.1489737360703218e-19 1.371443972584392e-19 1.5605937416411639e-19 1.724743146501e-19 1.8688429129629598e-19 1.9962479988986399e-19 2.1093616692590398e-19 2.20999438364058e-19 2.29958810101386e-19 2.37924832325634e-19 2.44993635634842e-19 2.5124532886070996e-19 2.56742396891964e-19 2.61544120264062e-19 2.6569856427602397e-19 2.69250589873602e-19 2.7223864929601195e-19 2.74694786075934e-19 2.7664783939277998e-19 2.7812985277923e-19 2.79160052354892e-19 2.7976407294591e-19 2.79961140671892e-19 2.79749653356204e-19 2.79060717403584e-19 2.7780941745243e-19 2.75891612021532e-19 2.73182331333438e-19 2.69535777314454e-19 2.64770904004938e-19 2.58669815382666e-19 2.5096815230302796e-19 2.41342275085956e-19 2.29390037396316e-19 2.1461156012429997e-19 1.96383596559282e-19 1.73914671444066e-19 1.461947726285784e-19 1.1192469508030859e-19 6.94050100435728e-20 1.63928304484344e-20 -5.0122974471046197e-20 -1.342457392922064e-19 -2.41677130002462e-19 -3.80507337515196e-19 -5.625065922544259e-19 -8.052924284876159e-19 -1.136162731704858e-18 -1.599182165871054e-18 -2.2691627667342e-18 -3.2814179640954e-18 -4.90160306346156e-18 -7.7126379895809e-18 ] } }