{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 6.87822 6.417354 6.131727 5.924205 5.761117 5.626751 5.512489 5.413091 5.325131 5.246246 5.174738 5.109344 5.0491 4.993254 4.941208 4.892476 4.846663 4.803438 4.762524 4.723687 4.686726 4.651468 4.617763 4.58548 4.552843 4.519211 4.48452 4.448703 4.411682 4.373376 4.33369 4.292522 4.249758 4.205268 4.158906 4.11051 4.059891 4.006836 3.951098 3.892392 3.830383 3.764679 3.694809 3.62021 3.540196 3.453917 3.360309 3.25801 3.14524 3.019608 2.877797 2.715018 2.523973 2.29274 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.87822e-10 6.417354e-10 6.131727e-10 5.924205e-10 5.761117e-10 5.626751e-10 5.512489000000001e-10 5.413091e-10 5.325131e-10 5.246246e-10 5.174737999999999e-10 5.109344000000001e-10 5.049100000000001e-10 4.993254000000001e-10 4.941208e-10 4.892476e-10 4.846663000000001e-10 4.803438e-10 4.762524e-10 4.723687e-10 4.686726e-10 4.6514680000000006e-10 4.6177630000000004e-10 4.5854799999999997e-10 4.5528430000000003e-10 4.5192110000000007e-10 4.48452e-10 4.4487030000000003e-10 4.411682e-10 4.3733760000000007e-10 4.33369e-10 4.292522e-10 4.249758e-10 4.2052680000000006e-10 4.1589060000000003e-10 4.11051e-10 4.0598910000000003e-10 4.006836e-10 3.9510980000000003e-10 3.8923920000000005e-10 3.830383e-10 3.7646790000000005e-10 3.694809e-10 3.62021e-10 3.540196e-10 3.453917e-10 3.360309e-10 3.25801e-10 3.14524e-10 3.019608e-10 2.877797e-10 2.7150180000000005e-10 2.523973e-10 2.2927399999999998e-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" [ 2.67527 3.09142 3.49892 3.8805 4.23386 4.56646 4.88094 5.17664 5.45209 5.70605 5.93784 6.14726 6.3346 6.50053 6.64599 6.77205 6.87982 6.97038 7.04472 7.10378 7.14838 7.17933 7.19737 7.20323 7.19697 7.17684 7.14055 7.08546 7.00844 6.90573 6.7728 6.60403 6.39246 6.12929 5.80347 5.40114 4.90517 4.29447 3.54296 2.61777 1.47663 0.0638233 -1.69696 -3.91514 -6.75475 -10.4686 -15.4524 -22.3352 -32.1608 -46.7778 -69.717 -108.537 -181.293 -337.854 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2862550836411793e-19 4.953000889880279e-19 5.60588786823528e-19 6.217246428236999e-19 6.78339156362724e-19 7.31627551209564e-19 7.820128019955959e-19 8.293891650629759e-19 8.73521120446506e-19 9.1420999824357e-19 9.513468504430558e-19 9.84899633512284e-19 1.0149148105736399e-18 1.041499727461602e-18 1.064804988779766e-18 1.0850020274279699e-18 1.1022686850125878e-18 1.1167779966100918e-18 1.128688577707248e-18 1.138151032907652e-18 1.145296740695292e-18 1.150255477377522e-18 1.153145804025258e-18 1.154084679532782e-18 1.153081716959898e-18 1.149856535395656e-18 1.14404223639087e-18 1.1352158453141639e-18 1.122875880879096e-18 1.106419924671282e-18 1.0851221906755199e-18 1.0580822556235018e-18 1.0241850045779639e-18 9.82020522100986e-19 9.298184030119979e-19 8.653580304962759e-19 7.858948759797779e-19 6.880499489413979e-19 5.67644772719664e-19 4.19412992718618e-19 2.36582208306342e-19 1.0225619996477219e-20 -2.71882966083264e-19 -6.272745826838759e-19 -1.0822302618511498e-18 -1.67725463106924e-18 -2.47574742192216e-18 -3.57849355557168e-18 -5.15272822907472e-18 -7.494629814992519e-18 -1.11698948392578e-17 -1.73895445324458e-17 -2.90463408507762e-17 -5.4130178450343595e-17 ] } }