{ "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 0.834274 1.09397 1.28364 1.44635 1.64549 1.96431 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 2.84039 2.81094 2.77151 2.71907 2.64934 2.5562 2.43055 2.25832 2.01666 1.66618 1.13085 0.258452 -1.34492 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.3366542981412992e-19 1.7527331578565762e-19 2.056617997523712e-19 2.31730815549408e-19 2.636365607760192e-19 3.1471715580036484e-19 3.358738980780288e-19 3.546642254867712e-19 3.7137492764171525e-19 3.8623191144639365e-19 3.994098141524736e-19 4.1106244471555207e-19 4.213099663821888e-19 4.3026132716259842e-19 4.38011055477408e-19 4.44636055804416e-19 4.502084260915584e-19 4.547922534036672e-19 4.584420117458496e-19 4.612073685933504e-19 4.63133184891552e-19 4.64262719409216e-19 4.64631220032e-19 4.644517762504705e-19 4.638637774306368e-19 4.627694907986304e-19 4.610519574611328e-19 4.585557662859264e-19 4.550806451954113e-19 4.503622350471552e-19 4.440448526313408e-19 4.356430384318656e-19 4.2447106085502722e-19 4.0954838780889605e-19 3.8941703856854403e-19 3.618227506285056e-19 3.231045504102528e-19 2.6695146420445443e-19 1.81182143163168e-19 4.140857519990017e-20 -2.1547993808463358e-19 ] } }