{ "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" [ "Si" "Si" ] } "a" { "source-value" [ 4.56565 4.259735 4.070142 3.932392 3.824137 3.734947 3.659102 3.593124 3.534737 3.482375 3.434909 3.391501 3.351513 3.314443 3.279896 3.247549 3.217139 3.188447 3.161289 3.13551 3.110975 3.087572 3.065199 3.04377 3.029182 3.013828 2.997625 2.980471 2.96225 2.942819 2.922006 2.899599 2.875334 2.848874 2.819783 2.787479 2.751163 2.709695 2.661369 2.603456 2.531189 2.43502 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.56565e-10 4.259735e-10 4.0701419999999997e-10 3.9323920000000003e-10 3.824137e-10 3.734947e-10 3.659102e-10 3.593124e-10 3.534737e-10 3.4823750000000006e-10 3.4349090000000005e-10 3.391501e-10 3.3515130000000003e-10 3.3144429999999997e-10 3.279896e-10 3.247549e-10 3.217139e-10 3.188447e-10 3.1612890000000004e-10 3.1355100000000003e-10 3.1109749999999997e-10 3.087572e-10 3.065199e-10 3.04377e-10 3.029182e-10 3.013828e-10 2.9976250000000003e-10 2.9804710000000003e-10 2.9622500000000003e-10 2.9428190000000003e-10 2.922006e-10 2.8995989999999997e-10 2.8753340000000004e-10 2.848874e-10 2.819783e-10 2.787479e-10 2.7511630000000004e-10 2.709695e-10 2.661369e-10 2.6034560000000003e-10 2.531189e-10 2.43502e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 1.8862e-27 7.57562e-05 0.012828 0.0918892 0.262244 0.503504 0.784758 1.08044 1.373 1.65164 1.91135 2.15174 2.37404 2.57876 2.76515 2.93149 3.07576 3.19604 3.29081 3.35897 3.39995 3.41358 3.40685 3.38449 3.34266 3.27655 3.18009 3.04555 2.86299 2.61942 2.29769 1.87462 1.31839 0.583986 -0.394238 -1.71597 -3.54065 -6.14189 -10.0376 -16.3678 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 3.0220255421529605e-46 1.2137481252064896e-23 2.05527216916224e-21 1.4722272794401537e-20 4.201612057450752e-20 8.067023372792832e-20 1.2573209205857664e-19 1.7310557081771522e-19 2.1997885003584e-19 2.646218993978112e-19 3.0623202841660804e-19 3.4474675220401924e-19 3.8036313848440323e-19 4.131628982654208e-19 4.4302586830051205e-19 4.696764742108992e-19 4.927910763191808e-19 5.120620567141632e-19 5.272458845494848e-19 5.381663203968576e-19 5.447320401888961e-19 5.469158069230465e-19 5.458375420572481e-19 5.422550751331393e-19 5.355531703283328e-19 5.24961180688224e-19 5.095065850039872e-19 4.879509007477441e-19 4.587015643584192e-19 4.196773484055936e-19 3.681305199845952e-19 3.003472336884096e-19 2.112293635096512e-19 9.356487160745089e-20 -6.316389066309504e-20 -2.749287015994176e-19 -5.67274665243552e-19 -9.840392565525312e-19 -1.608200804894208e-18 -2.622410649393024e-18 ] } }