{ "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 6.17887 5.764864 5.508279 5.321856 5.175351 5.054647 4.952003 4.862712 4.783695 4.712831 4.648594 4.589849 4.53573 4.485563 4.438808 4.395032 4.353877 4.315047 4.278293 4.243405 4.210202 4.178529 4.148251 4.11925 4.099507 4.078728 4.056799 4.033585 4.008925 3.982628 3.954461 3.924137 3.891298 3.855488 3.816118 3.7724 3.723252 3.667131 3.601729 3.523352 3.425549 3.2954 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.17887e-10 5.764864e-10 5.508279e-10 5.321856e-10 5.175351e-10 5.054647e-10 4.952003000000001e-10 4.862712e-10 4.783695e-10 4.712831000000001e-10 4.6485940000000005e-10 4.589849e-10 4.5357300000000004e-10 4.485563e-10 4.438808e-10 4.3950319999999997e-10 4.3538769999999997e-10 4.315047e-10 4.278293e-10 4.243405e-10 4.2102019999999997e-10 4.1785290000000006e-10 4.1482510000000004e-10 4.11925e-10 4.0995070000000003e-10 4.078728e-10 4.056799e-10 4.033585000000001e-10 4.0089249999999997e-10 3.9826280000000004e-10 3.954461e-10 3.9241370000000003e-10 3.891298e-10 3.855488e-10 3.816118e-10 3.7724000000000003e-10 3.723252e-10 3.667131e-10 3.6017290000000005e-10 3.523352e-10 3.4255490000000003e-10 3.2954e-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" [ 0.00480442 0.0412894 0.163465 0.439138 0.913307 1.56879 2.32627 3.08888 3.78628 4.38654 4.88535 5.29174 5.61887 5.87975 6.08587 6.24698 6.37124 6.46547 6.5353 6.58543 6.6197 6.64125 6.65268 6.65609 6.65461 6.65009 6.64221 6.63033 6.6136 6.59083 6.5604 6.52004 6.46648 6.39491 6.29828 6.16761 5.98848 5.73695 5.37066 4.80511 3.84084 1.90317 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.6975294005039365e-22 6.615291136685952e-21 2.61899801319072e-20 7.035766369048704e-20 1.4632791230129856e-19 2.513478660944832e-19 3.727095407668416e-19 4.948931320456705e-19 6.066289295802625e-19 7.028011834204033e-19 7.82719355442528e-19 8.478302111352192e-19 9.002422149314496e-19 9.4203979861488e-19 9.750638631228097e-19 1.0008765306605184e-18 1.0207851773505793e-18 1.0358824876483777e-18 1.0470704869914242e-18 1.0551021983914944e-18 1.060592857670976e-18 1.0640455482888001e-18 1.0658768361663744e-18 1.0664231783940672e-18 1.0661860562541889e-18 1.0654618724215873e-18 1.064199357244397e-18 1.0622959714188864e-18 1.059615529932288e-18 1.0559673737667265e-18 1.051091950309632e-18 1.0446255654680831e-18 1.0360443074870784e-18 1.024577529412013e-18 1.0090956967252225e-18 9.881600548212287e-19 9.594602650128384e-19 9.19160716469856e-19 8.604745890265728e-19 7.698634902372289e-19 6.153704052233473e-19 3.0492144794079363e-19 ] } }