{ "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 8.13129 7.586464 7.248802 7.003473 6.810674 6.651829 6.516751 6.399245 6.29526 6.202004 6.117469 6.040161 5.968942 5.902922 5.841394 5.783785 5.729625 5.678526 5.630158 5.584246 5.540551 5.49887 5.459024 5.42086 5.394879 5.367534 5.338676 5.308127 5.275675 5.241069 5.204001 5.164095 5.120879 5.073755 5.021945 4.964412 4.899734 4.825881 4.739812 4.636671 4.507964 4.33669 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.131290000000001e-10 7.586464000000001e-10 7.248802e-10 7.003473e-10 6.810674e-10 6.651829000000001e-10 6.516751000000001e-10 6.399245e-10 6.29526e-10 6.202004e-10 6.117469e-10 6.040161e-10 5.968942000000001e-10 5.902922e-10 5.841394e-10 5.783785000000001e-10 5.729625e-10 5.678526e-10 5.630158e-10 5.584246e-10 5.540551e-10 5.49887e-10 5.459024000000001e-10 5.42086e-10 5.394879e-10 5.367534e-10 5.338676000000001e-10 5.308127e-10 5.275675e-10 5.241069000000001e-10 5.204001e-10 5.164095e-10 5.120879000000001e-10 5.073755000000001e-10 5.021945e-10 4.964412000000001e-10 4.899734e-10 4.825881e-10 4.739812e-10 4.636671e-10 4.507964e-10 4.33669e-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" [ 1.62002 2.69002 3.39202 3.91402 4.29519 4.59276 4.83491 5.03576 5.2045 5.34747 5.46923 5.57318 5.68507 5.76452 5.82953 5.88439 5.93023 5.96795 5.99835 6.0221 6.03977 6.05188 6.05886 6.06111 6.06004 6.05654 6.05011 6.04012 6.02578 6.00608 5.97969 5.94487 5.89928 5.83969 5.76155 5.65827 5.51985 5.33053 5.06385 4.67176 4.05682 2.98545 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5955581692284164e-19 4.3098871534844163e-19 5.434615141286016e-19 6.270951337343616e-19 6.881652999893952e-19 7.358412696945409e-19 7.746379765672128e-19 8.068176939959808e-19 8.338528222953601e-19 8.567591414429377e-19 8.762672439777984e-19 8.929218699510144e-19 9.108486241611456e-19 9.235779174134017e-19 9.339936676252226e-19 9.427832085669312e-19 9.501275861966784e-19 9.56170996410336e-19 9.61041613337568e-19 9.64846782811968e-19 9.676778289009217e-19 9.696180647887104e-19 9.70736384070029e-19 9.710968738097088e-19 9.709254409112832e-19 9.703646790940032e-19 9.69334479526829e-19 9.677339050826497e-19 9.654363838084224e-19 9.622800958654464e-19 9.580519517631552e-19 9.524731727695297e-19 9.451688495553024e-19 9.356214790719552e-19 9.23102070957024e-19 9.065547908174016e-19 8.84377462032288e-19 8.540450542473026e-19 8.113182081238081e-19 7.484984649988608e-19 6.499742158793857e-19 4.78321819256736e-19 ] } }