{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mn" "Mn" ] } "a" { "source-value" [ 4.40362 4.108562 3.925697 3.792835 3.688422 3.602398 3.529245 3.465608 3.409293 3.358789 3.313008 3.271141 3.232571 3.196817 3.163496 3.132297 3.102966 3.075292 3.049098 3.024234 3.00057 2.977997 2.956418 2.93575 2.921679 2.906871 2.891242 2.874697 2.857123 2.838381 2.818306 2.796695 2.77329 2.74777 2.719711 2.688553 2.653526 2.613529 2.566917 2.51106 2.441356 2.3486 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.4036200000000004e-10 4.108562e-10 3.9256970000000003e-10 3.7928350000000004e-10 3.688422e-10 3.6023980000000003e-10 3.529245e-10 3.4656080000000004e-10 3.409293e-10 3.358789e-10 3.3130080000000003e-10 3.2711410000000004e-10 3.2325710000000004e-10 3.196817e-10 3.163496e-10 3.132297e-10 3.102966e-10 3.0752920000000003e-10 3.0490979999999997e-10 3.0242339999999997e-10 3.00057e-10 2.977997e-10 2.9564180000000003e-10 2.9357500000000004e-10 2.9216790000000004e-10 2.906871e-10 2.8912420000000003e-10 2.874697e-10 2.857123e-10 2.8383810000000004e-10 2.8183060000000003e-10 2.796695e-10 2.77329e-10 2.7477700000000003e-10 2.7197110000000003e-10 2.6885530000000004e-10 2.6535259999999997e-10 2.6135290000000003e-10 2.5669170000000005e-10 2.51106e-10 2.441356e-10 2.3486e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.526283 0.826813 1.07803 1.29524 1.48629 1.65597 1.80728 1.9401 2.06172 2.17085 2.26864 2.35604 2.43384 2.50271 2.56325 2.61595 2.66128 2.69963 2.73135 2.75676 2.77615 2.78975 2.79778 2.80042 2.79913 2.79486 2.78689 2.77429 2.75586 2.73004 2.69472 2.64705 2.58307 2.49717 2.38116 2.2227 2.00236 1.68801 1.22287 0.497008 -0.731954 -3.13148 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.431983254714218e-20 1.3247004692874419e-19 1.72719447675102e-19 2.0752032634221598e-19 2.3812991093478597e-19 2.6531564406049795e-19 2.89558178709552e-19 3.1083828876234e-19 3.30323960985048e-19 3.4780851459189e-19 3.63476199895776e-19 3.77479223676936e-19 3.8994415788945596e-19 4.00978348367814e-19 4.1067792571004996e-19 4.1912139657123e-19 4.26384063253152e-19 4.32528410644542e-19 4.376105149275899e-19 4.41681645754584e-19 4.4478826624791e-19 4.4696722647015e-19 4.48253774307252e-19 4.48676748938628e-19 4.48470068152842e-19 4.47785938730124e-19 4.46509003952826e-19 4.44490261393986e-19 4.41537449857524e-19 4.37400629788536e-19 4.3174174191724793e-19 4.2410416590297e-19 4.13853439798638e-19 4.00090742512578e-19 3.8150389138154395e-19 3.5611580043918e-19 3.2081344048562397e-19 2.7044901799583396e-19 1.9592537404195796e-19 7.96294604511072e-20 -1.1727195959628359e-19 -5.017184085838319e-19 ] } }