{ "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 7.97044 7.436392 7.10541 6.864934 6.675949 6.520247 6.387841 6.27266 6.170732 6.079321 5.996458 5.920679 5.850869 5.786156 5.725845 5.669375 5.616287 5.566198 5.518788 5.473784 5.430953 5.390097 5.351039 5.31363 5.275811 5.236838 5.196638 5.155133 5.112234 5.067844 5.021856 4.974152 4.924596 4.873041 4.819318 4.763236 4.704579 4.643099 4.57851 4.510482 4.438626 4.362488 4.281523 4.195078 4.102358 4.002378 3.893905 3.775362 3.644684 3.499102 3.334773 3.146144 2.924762 2.65681 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.97044e-10 7.436392e-10 7.10541e-10 6.864934e-10 6.675949000000001e-10 6.520247e-10 6.387841e-10 6.27266e-10 6.170732e-10 6.079321e-10 5.996458e-10 5.920679e-10 5.850869e-10 5.786156000000001e-10 5.725845e-10 5.669374999999999e-10 5.616287e-10 5.566198e-10 5.518788e-10 5.473784e-10 5.430953e-10 5.390097e-10 5.351039e-10 5.31363e-10 5.275811e-10 5.236838e-10 5.196638e-10 5.155133e-10 5.112234e-10 5.067844e-10 5.021855999999999e-10 4.974152e-10 4.924596e-10 4.873041e-10 4.819318000000001e-10 4.763236e-10 4.704579e-10 4.6430990000000004e-10 4.57851e-10 4.510482e-10 4.4386260000000006e-10 4.362488e-10 4.281523e-10 4.195078e-10 4.102358e-10 4.0023780000000003e-10 3.8939050000000004e-10 3.775362e-10 3.644684e-10 3.4991020000000005e-10 3.3347730000000004e-10 3.146144e-10 2.924762e-10 2.65681e-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" [ 0.58107 0.806905 0.974365 1.10774 1.21792 1.31098 1.3907 1.45963 1.51961 1.57199 1.61781 1.65788 1.69286 1.72328 1.74958 1.77214 1.79127 1.80724 1.82028 1.8306 1.83838 1.84376 1.84691 1.84793 1.84683 1.84329 1.83689 1.82712 1.81337 1.82634 1.87908 1.87398 1.84737 1.8125 1.7679 1.71147 1.64055 1.5518 1.44095 1.30248 1.12924 0.911764 0.725606 0.408204 -0.0146299 -0.563374 -1.28495 -2.24941 -3.56505 -5.40604 -8.07096 -12.1017 -18.5782 -29.9271 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.309767767183799e-20 1.29280433685777e-19 1.56110483598741e-19 1.77479514454716e-19 1.9513229660812796e-19 2.1004215236413199e-19 2.2281470449038e-19 2.3385850802854197e-19 2.4346836347927396e-19 2.51860564688166e-19 2.59201738025154e-19 2.6562165979759197e-19 2.71226073663324e-19 2.7609989498395195e-19 2.8031361953137195e-19 2.83928130017676e-19 2.8699309391851795e-19 2.8955177000301597e-19 2.9164100833375195e-19 2.9329445462004e-19 2.94540948041292e-19 2.95402919070384e-19 2.9590760471009397e-19 2.96071026726762e-19 2.95894787297022e-19 2.95327616768586e-19 2.9430222372282596e-19 2.92736897151408e-19 2.90533904279658e-19 2.92611927373956e-19 3.01061806941672e-19 3.00244696858332e-19 2.95981304835258e-19 2.9039451491249997e-19 2.8324880712485998e-19 2.7420772437919797e-19 2.6284508769087e-19 2.4862577006412e-19 2.3086564207622996e-19 2.08680302225232e-19 1.80924194217816e-19 1.460806976522376e-19 1.1625489786902038e-19 6.54014910705336e-20 -2.3439683937756596e-21 -9.02624659003116e-20 -2.0587168658582998e-19 -3.60395214228594e-19 -5.711839809041699e-19 -8.66143097046936e-19 -1.2931103525948639e-18 -1.9389060971677797e-18 -2.9765557941778798e-18 -4.7948500343381395e-18 ] } }