{ "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" [ "Nb" "Nb" ] } "a" { "source-value" [ 4.98969 4.655362 4.448159 4.297615 4.179306 4.081833 3.998943 3.926837 3.863028 3.805802 3.753927 3.706488 3.662785 3.622273 3.584517 3.549165 3.515931 3.484574 3.454894 3.42672 3.399907 3.37433 3.349879 3.32646 3.302784 3.278386 3.25322 3.227237 3.200381 3.172592 3.143803 3.113939 3.082916 3.050641 3.017009 2.981901 2.94518 2.906692 2.866258 2.823671 2.778688 2.731023 2.680337 2.626221 2.568176 2.505586 2.43768 2.363469 2.281662 2.190524 2.08765 1.969564 1.830974 1.66323 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.989690000000001e-10 4.6553620000000006e-10 4.4481590000000006e-10 4.2976150000000004e-10 4.1793060000000006e-10 4.081833e-10 3.9989430000000003e-10 3.926837e-10 3.863028e-10 3.805802e-10 3.753927e-10 3.706488e-10 3.662785e-10 3.622273e-10 3.584517e-10 3.549165e-10 3.5159310000000003e-10 3.484574e-10 3.4548940000000003e-10 3.4267200000000003e-10 3.399907e-10 3.37433e-10 3.349879e-10 3.32646e-10 3.3027840000000003e-10 3.278386e-10 3.25322e-10 3.2272370000000004e-10 3.2003810000000003e-10 3.172592e-10 3.1438030000000005e-10 3.113939e-10 3.082916e-10 3.0506410000000004e-10 3.017009e-10 2.981901e-10 2.94518e-10 2.906692e-10 2.8662580000000003e-10 2.8236710000000004e-10 2.7786879999999997e-10 2.7310230000000003e-10 2.6803370000000005e-10 2.626221e-10 2.568176e-10 2.5055860000000003e-10 2.43768e-10 2.363469e-10 2.281662e-10 2.190524e-10 2.08765e-10 1.9695640000000003e-10 1.8309740000000002e-10 1.66323e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.456394 1.49668 2.51913 3.41544 4.1661 4.79448 5.32274 5.7672 6.14037 6.45263 6.71301 6.92956 7.10934 7.25844 7.38197 7.48417 7.5684 7.63732 7.69296 7.73682 7.76997 7.79317 7.80688 7.81142 7.80766 7.79596 7.77427 7.7393 7.68627 7.60857 7.49734 7.34111 7.12539 6.83235 6.44051 5.92469 5.25624 4.40383 3.33465 2.01656 0.420216 -1.51504 -3.9001 -6.95346 -11.09 -17.03 -25.8732 -39.081 -58.7561 -88.3886 -134.334 -221.072 -426.28 -1046.55 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.31223802697796e-20 2.3979457245751197e-19 4.0360912240084197e-19 5.47213816282896e-19 6.6748280749074e-19 7.68160382818032e-19 8.527969656857158e-19 9.2400730836048e-19 9.837957338114578e-19 1.033825301384742e-18 1.075542776580834e-18 1.110237911590104e-18 1.139041843116156e-18 1.162930296729096e-18 1.1827219846888979e-18 1.1990962298883779e-18 1.2125913636765598e-18 1.2236335650380878e-18 1.232548075829664e-18 1.239575222546388e-18 1.244886438088098e-18 1.248603487878978e-18 1.2508000720441918e-18 1.2515274602360279e-18 1.250925041821644e-18 1.2490504951598639e-18 1.2455753740407178e-18 1.23997256235162e-18 1.231476219661518e-18 1.219027307215338e-18 1.2012062965153559e-18 1.1761754909623738e-18 1.141613336613726e-18 1.09466315253099e-18 1.0318834633043339e-18 9.49239988169346e-19 8.421424910696159e-19 7.05571352610822e-19 5.342698312568099e-19 3.23088531305904e-19 6.73260256432944e-20 -2.4273616875753596e-19 -6.2486490902634e-19 -1.1140671137453638e-18 -1.7768138871059997e-18 -2.728506807702e-18 -4.14534364868088e-18 -6.2614665033354e-18 -9.41376505249674e-18 -1.4161414963197238e-17 -2.15226795951756e-17 -3.5419639283164796e-17 -6.8297585554152e-17 -1.6767579563126998e-16 ] } }