{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.06133 8.454188 8.077906 7.804517 7.589666 7.412653 7.262125 7.131179 7.015301 6.911379 6.817174 6.731025 6.65166 6.578089 6.509523 6.445325 6.384971 6.328027 6.274127 6.222963 6.174271 6.127822 6.08342 6.04089 5.997895 5.953588 5.907886 5.8607 5.81193 5.761465 5.709183 5.65495 5.598612 5.540001 5.478925 5.415167 5.348482 5.278588 5.205159 5.12782 5.046131 4.959572 4.867526 4.76925 4.663839 4.550176 4.426858 4.29209 4.143527 3.97802 3.791201 3.576756 3.325074 3.02045 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.06133e-10 8.454188000000001e-10 8.077906e-10 7.804517e-10 7.589666000000001e-10 7.412653e-10 7.262125000000001e-10 7.131179000000001e-10 7.015301e-10 6.911379e-10 6.817174e-10 6.731025000000001e-10 6.65166e-10 6.578089000000001e-10 6.509523e-10 6.445325e-10 6.384971e-10 6.328027e-10 6.274127e-10 6.222963000000001e-10 6.174271e-10 6.127822e-10 6.08342e-10 6.04089e-10 5.997895e-10 5.953588e-10 5.907886000000001e-10 5.8607e-10 5.811930000000001e-10 5.761465e-10 5.709183e-10 5.65495e-10 5.598612e-10 5.540001000000001e-10 5.478925e-10 5.415167000000001e-10 5.348482e-10 5.278588e-10 5.205159e-10 5.12782e-10 5.046131e-10 4.959571999999999e-10 4.867526e-10 4.769250000000001e-10 4.663839e-10 4.5501760000000006e-10 4.4268580000000006e-10 4.29209e-10 4.143527e-10 3.9780200000000003e-10 3.791201e-10 3.576756e-10 3.325074e-10 3.02045e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.23235 1.62189 1.88621 2.0846 2.24144 2.36947 2.47625 2.56668 2.64414 2.71107 2.76926 2.82011 2.86473 3.86559 3.87038 3.89313 3.91195 3.92729 3.93954 3.94903 3.95604 3.9608 3.96352 3.9644 3.96348 3.96058 3.95542 3.94769 3.93702 3.92301 3.90514 3.88286 3.85547 3.82215 3.78195 3.73368 3.67593 3.60699 3.52471 3.42646 3.30893 3.16791 2.99794 2.79184 2.53992 2.22856 1.83766 1.33548 0.666677 -0.27823 -1.75175 -4.44646 -10.6561 -29.7612 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9744423749098999e-19 2.59855426091826e-19 3.02204158881714e-19 3.3398974112364e-19 3.5911827945129594e-19 3.79630946896398e-19 3.9673898899424994e-19 4.1122747229551194e-19 4.23637932502476e-19 4.34361300713838e-19 4.43684366547084e-19 4.51831434730974e-19 4.58980346871882e-19 6.19335797462406e-19 6.20103240070092e-19 6.23748191912442e-19 6.267634883376299e-19 6.29221227294186e-19 6.31183893670836e-19 6.32704359296502e-19 6.338274851169359e-19 6.3459012119472e-19 6.350259132391679e-19 6.3516690478296e-19 6.350195045326319e-19 6.34554873308772e-19 6.3372815016562795e-19 6.32489667627546e-19 6.307801451590679e-19 6.2853549569483395e-19 6.25672406049876e-19 6.221027565093239e-19 6.177143947087979e-19 6.1237594216431e-19 6.0593519209563e-19 5.98201485483312e-19 5.88948915421962e-19 5.779035097071659e-19 5.64720800362614e-19 5.48979414933564e-19 5.30149032954162e-19 5.07555138061494e-19 4.803229418133959e-19 4.47302081386656e-19 4.0694004762292796e-19 3.5705467594670394e-19 2.94425591323644e-19 2.13967485117432e-19 1.0681343118252179e-19 -4.4577360487781994e-20 -2.8066129186095e-19 -7.12401431601564e-19 -1.70729544295674e-18 -4.7682699239800795e-18 ] } }