{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 6.06357 5.657288 5.405491 5.222547 5.078775 4.960324 4.859595 4.77197 4.694428 4.624886 4.561847 4.504198 4.451089 4.401858 4.355976 4.313016 4.272629 4.234523 4.198455 4.164218 4.131635 4.100553 4.07084 4.04238 4.023005 4.002614 3.981094 3.958313 3.934114 3.908307 3.880665 3.850907 3.81868 3.783539 3.744904 3.702001 3.653769 3.598696 3.534514 3.4576 3.361621 3.2339 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.06357e-10 5.657288000000001e-10 5.405491e-10 5.222547e-10 5.078775e-10 4.960324e-10 4.859595e-10 4.771969999999999e-10 4.694428e-10 4.6248860000000004e-10 4.561847e-10 4.5041979999999997e-10 4.451089e-10 4.401858e-10 4.3559760000000004e-10 4.3130160000000004e-10 4.2726290000000003e-10 4.2345230000000003e-10 4.198455e-10 4.164218e-10 4.1316350000000003e-10 4.100553e-10 4.07084e-10 4.04238e-10 4.0230050000000005e-10 4.0026140000000005e-10 3.9810940000000005e-10 3.958313e-10 3.934114e-10 3.9083070000000005e-10 3.880665e-10 3.850907e-10 3.8186800000000003e-10 3.7835390000000005e-10 3.744904e-10 3.702001e-10 3.6537690000000003e-10 3.598696e-10 3.5345140000000004e-10 3.4576e-10 3.361621e-10 3.2339000000000006e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ -0.214961 -0.240889 0.219202 0.783346 1.31091 1.79354 2.24089 2.65422 3.02939 3.36248 3.65022 3.89339 4.09678 4.26448 4.4009 4.51067 4.59828 4.66771 4.72225 4.76439 4.79589 4.81787 4.83091 4.83526 4.83308 4.82575 4.81176 4.78912 4.75515 4.70625 4.63759 4.54266 4.41267 4.23579 3.99568 3.67221 3.24136 2.66276 1.86114 0.681526 -1.21079 -4.50868 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -3.4440548858378887e-20 -3.859467240078912e-20 3.512003196326016e-20 1.255058647197197e-19 2.1003093539729283e-19 2.8735678564696323e-19 3.590301567784512e-19 4.2525292304597764e-19 4.853617833285312e-19 5.387286843907584e-19 5.848297144776576e-19 6.237898433656512e-19 6.563765136561024e-19 6.8324501558691845e-19 7.051019090478721e-19 7.2268900181439365e-19 7.367256711892224e-19 7.478495834674368e-19 7.5658785475728e-19 7.633394270373312e-19 7.683862833928513e-19 7.719078676053697e-19 7.739971059188929e-19 7.746940527489408e-19 7.743447782456064e-19 7.731703827825601e-19 7.709289376900608e-19 7.673016098205696e-19 7.618590158397121e-19 7.54024372164e-19 7.430238274855873e-19 7.278143648243328e-19 7.069876709305537e-19 6.786483708618432e-19 6.401785080198144e-19 5.883529008667968e-19 5.193231211596288e-19 4.266211818801408e-19 2.981874996035712e-19 1.0919250236673409e-19 -1.9398994306984322e-19 -7.223701686668545e-19 ] } }