{ "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" [ "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 8.32002 7.762548 7.417049 7.166026 6.968752 6.80622 6.668007 6.547773 6.441375 6.345955 6.259457 6.180355 6.107483 6.039931 5.976975 5.918029 5.862612 5.810326 5.760836 5.713858 5.669149 5.6265 5.58573 5.54668 5.520095 5.492116 5.462588 5.431329 5.398124 5.362715 5.324786 5.283954 5.239735 5.191517 5.138504 5.079635 5.013456 4.937888 4.849821 4.744285 4.61259 4.43734 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.320019999999999e-10 7.762548e-10 7.417048999999999e-10 7.166026e-10 6.968752000000001e-10 6.80622e-10 6.668007e-10 6.547773000000001e-10 6.441375e-10 6.345955000000001e-10 6.259457000000001e-10 6.180355e-10 6.107483000000001e-10 6.039931000000001e-10 5.976975e-10 5.918029e-10 5.862612000000001e-10 5.810326e-10 5.760836e-10 5.713858e-10 5.669149e-10 5.6265e-10 5.58573e-10 5.546680000000001e-10 5.520095000000001e-10 5.492116e-10 5.462588000000001e-10 5.431329e-10 5.398124000000001e-10 5.362715e-10 5.324786e-10 5.283953999999999e-10 5.239735e-10 5.191517e-10 5.138504000000001e-10 5.079635e-10 5.013456e-10 4.937888e-10 4.849821000000001e-10 4.744285e-10 4.61259e-10 4.43734e-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" [ 0.502372 0.61033 0.68469 0.740919 0.785012 0.820278 0.850096 0.875566 0.89686 0.915256 0.931129 0.94449 0.955661 0.965591 0.973858 0.980591 0.985936 0.990385 0.993896 0.99635 0.997826 0.998396 0.999108 0.999476 0.9993 0.998722 0.997656 0.995994 0.993596 0.990282 0.985818 0.97989 0.972073 0.962654 0.950468 0.934024 0.911843 0.880979 0.838073 0.774575 0.67453 0.499759 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.048886733445377e-20 9.778564569728642e-20 1.0969943104955522e-19 1.1870830997065153e-19 1.2577278734474497e-19 1.3142302341565824e-19 1.3620039366355968e-19 1.4028113751673728e-19 1.4369281241306882e-19 1.4664017652469249e-19 1.4918331147488833e-19 1.5132397965793923e-19 1.5311377116103488e-19 1.547047325454893e-19 1.5602925195790464e-19 1.5710799747668928e-19 1.579643608805069e-19 1.586771692591008e-19 1.592396934706637e-19 1.59632867613408e-19 1.598693488826381e-19 1.599606729500237e-19 1.6007474792542466e-19 1.601337080250701e-19 1.60105509716544e-19 1.6001290390786176e-19 1.5984211188008449e-19 1.5957583012570753e-19 1.591916281720397e-19 1.5866066683990656e-19 1.5794545519638145e-19 1.5699568489557122e-19 1.5574326343109184e-19 1.5423417327196033e-19 1.5228176084185346e-19 1.4964714160660993e-19 1.4609335364401345e-19 1.411483957215763e-19 1.3427409671237183e-19 1.24100595605616e-19 1.080716196028224e-19 8.007021858343873e-20 ] } }