{ "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" [ 4.38209 4.088473 3.906501 3.774289 3.670386 3.584782 3.511986 3.448659 3.39262 3.342363 3.296805 3.255143 3.216761 3.181182 3.148023 3.116977 3.087789 3.060251 3.034185 3.009442 2.985894 2.963431 2.941957 2.92139 2.907388 2.892652 2.8771 2.860636 2.843147 2.824497 2.80452 2.783014 2.759725 2.734329 2.706407 2.675401 2.640545 2.600744 2.55436 2.498775 2.429413 2.33711 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.38209e-10 4.0884729999999996e-10 3.906501e-10 3.774289e-10 3.670386e-10 3.5847820000000003e-10 3.511986e-10 3.448659e-10 3.39262e-10 3.3423630000000004e-10 3.296805e-10 3.255143e-10 3.216761e-10 3.1811820000000003e-10 3.148023e-10 3.116977e-10 3.087789e-10 3.060251e-10 3.034185e-10 3.009442e-10 2.985894e-10 2.963431e-10 2.941957e-10 2.9213900000000003e-10 2.907388e-10 2.892652e-10 2.8771000000000003e-10 2.860636e-10 2.843147e-10 2.824497e-10 2.80452e-10 2.7830140000000004e-10 2.759725e-10 2.734329e-10 2.706407e-10 2.675401e-10 2.640545e-10 2.600744e-10 2.55436e-10 2.4987750000000005e-10 2.429413e-10 2.33711e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.582174 0.867186 1.23029 1.45377 1.64672 1.81552 1.9644 2.09636 2.21364 2.31794 2.41067 2.49292 2.56565 2.62961 2.68548 2.73385 2.7752 2.80998 2.83859 2.86137 2.87863 2.89065 2.8977 2.9 2.89888 2.89521 2.88838 2.87766 2.86208 2.84034 2.8101 2.77023 2.7177 2.64793 2.55474 2.42903 2.25671 2.01494 1.6643 1.13079 0.258452 -1.34496 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.327455797223159e-20 1.389385146531924e-19 1.97114189104386e-19 2.32919632521018e-19 2.63833630674048e-19 2.90878372255968e-19 3.1473157798296e-19 3.3587390084522395e-19 3.5466422840877596e-19 3.71374930701396e-19 3.86231914628478e-19 3.9940981744312795e-19 4.1106244810221003e-19 4.21309969853274e-19 4.30261330707432e-19 4.380110590860899e-19 4.4463605946768e-19 4.50208429800732e-19 4.54792257150606e-19 4.584420155228579e-19 4.61207372393142e-19 4.6313318870721e-19 4.642627232341799e-19 4.6463122386e-19 4.64451780076992e-19 4.63863781252314e-19 4.62769494611292e-19 4.61051961259644e-19 4.58555770063872e-19 4.550726380615559e-19 4.5022765592034e-19 4.43839777680582e-19 4.354235438221799e-19 4.2424515744676197e-19 4.0931447339451596e-19 3.89173510928502e-19 3.6156480317141396e-19 3.22828978691196e-19 2.6665025719662e-19 1.8117253159608597e-19 4.14085755410568e-20 -2.1548634856646397e-19 ] } }