{ "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 6.34864 5.923258 5.659624 5.468079 5.317548 5.193528 5.088064 4.996319 4.915132 4.842321 4.776318 4.715959 4.660353 4.608808 4.560768 4.515789 4.473503 4.433606 4.395843 4.359996 4.325881 4.293337 4.262227 4.23243 4.202306 4.171263 4.139243 4.106183 4.072013 4.036656 4.000025 3.962027 3.922555 3.88149 3.838698 3.794028 3.747306 3.698336 3.64689 3.592703 3.535469 3.474823 3.410332 3.341477 3.267623 3.187987 3.101586 3.007163 2.903075 2.787116 2.656223 2.505976 2.32964 2.11621 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.34864e-10 5.923258e-10 5.659624e-10 5.468079e-10 5.317548e-10 5.193528e-10 5.088064e-10 4.996318999999999e-10 4.915132e-10 4.842321e-10 4.776318e-10 4.715959e-10 4.660353e-10 4.608808e-10 4.5607680000000006e-10 4.515789e-10 4.473503e-10 4.4336060000000004e-10 4.395843e-10 4.3599959999999997e-10 4.325881e-10 4.2933370000000005e-10 4.2622270000000004e-10 4.23243e-10 4.2023060000000004e-10 4.171263e-10 4.139243e-10 4.106183e-10 4.072013e-10 4.036656e-10 4.000025e-10 3.962027e-10 3.922555e-10 3.88149e-10 3.8386980000000003e-10 3.794028e-10 3.747306e-10 3.698336e-10 3.64689e-10 3.5927030000000003e-10 3.5354690000000003e-10 3.4748230000000003e-10 3.410332e-10 3.3414769999999997e-10 3.2676230000000003e-10 3.187987e-10 3.101586e-10 3.007163e-10 2.903075e-10 2.787116e-10 2.6562229999999997e-10 2.505976e-10 2.32964e-10 2.1162100000000002e-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" [ -0.572751 1.09896 2.40291 3.13285 3.62048 4.04249 4.42479 4.77414 5.0796 5.3422 5.56964 5.76682 5.93667 6.08239 6.20814 6.31641 6.40917 6.4872 6.55088 6.6007 6.63719 6.66074 6.67269 6.6763 6.67273 6.66158 6.64168 6.61125 6.56763 6.50746 6.4282 6.32897 6.20787 6.0599 5.8781 5.6556 5.38453 5.0538 4.65055 4.14362 3.46614 2.47567 0.855031 -2.11134 -7.18917 -13.8172 -22.3099 -35.0592 -57.1218 -97.8854 -157.572 -255.665 -470.756 -980.039 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -9.176482693001339e-20 1.7607280337006398e-19 3.8498862556049394e-19 5.019379067826899e-19 5.80064845986432e-19 6.47678302117866e-19 7.089295148356859e-19 7.64901555544476e-19 8.1384164300664e-19 8.5591480141548e-19 8.923547067791758e-19 9.239464256483879e-19 9.51159395776878e-19 9.745063136875259e-19 9.94653684860076e-19 1.012000451276394e-18 1.026862241733378e-18 1.0393640260084799e-18 1.049566686813792e-18 1.05754873080438e-18 1.063395073341846e-18 1.0671681993149158e-18 1.069082800392546e-18 1.06966118615742e-18 1.0690892090990818e-18 1.067302782152172e-18 1.064114450650512e-18 1.05923902715325e-18 1.052250332675742e-18 1.0426100358689639e-18 1.02991118386788e-18 1.0140127851286978e-18 9.946104260909579e-19 9.709030184376598e-19 9.4177544723154e-19 9.0612701712504e-19 8.626968151072019e-19 8.097080272909199e-19 7.451002545248699e-19 6.63881114417508e-19 5.5533685181727595e-19 3.96646062749478e-19 1.369910689545654e-19 -3.3827396144295603e-19 -1.151832019185378e-18 -2.21375949873048e-18 -3.57444004868766e-18 -5.6171031046732795e-18 -9.15192132520212e-18 -1.568297006897436e-17 -2.52458176572648e-17 -4.0962048913160993e-17 -7.542342635153039e-17 -1.5701955862087258e-16 ] } }