{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 9.42195 8.790645 8.399387 8.115117 7.891715 7.707658 7.551139 7.414981 7.294492 7.186434 7.08848 6.998901 6.916378 6.839879 6.768584 6.701831 6.639075 6.579864 6.52382 6.47062 6.419989 6.371692 6.325522 6.2813 6.251195 6.21951 6.186071 6.150672 6.11307 6.07297 6.030019 5.983779 5.933703 5.879099 5.819065 5.7524 5.677456 5.59188 5.49215 5.372637 5.2235 5.02504 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.421950000000002e-10 8.790644999999999e-10 8.399387000000001e-10 8.115117e-10 7.891715e-10 7.707658e-10 7.551139e-10 7.414981e-10 7.294492000000001e-10 7.186434000000001e-10 7.08848e-10 6.998901e-10 6.916378e-10 6.839879e-10 6.768584e-10 6.701831e-10 6.639075000000001e-10 6.579864e-10 6.52382e-10 6.470620000000001e-10 6.419989e-10 6.371692e-10 6.325522e-10 6.2813e-10 6.251195000000001e-10 6.21951e-10 6.186071e-10 6.150672000000001e-10 6.11307e-10 6.07297e-10 6.030019000000001e-10 5.983779e-10 5.933703000000001e-10 5.879099000000001e-10 5.819065e-10 5.7524e-10 5.677456000000001e-10 5.59188e-10 5.49215e-10 5.372637e-10 5.2235e-10 5.02504e-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" [ 0.534538 0.795435 1.01256 1.19464 1.35093 1.49436 1.62521 1.74202 1.8465 1.94001 2.02358 2.09809 2.16423 2.22259 2.27369 2.31795 2.35576 2.38745 2.41331 2.43424 2.45117 2.46303 2.47002 2.47231 2.47119 2.46749 2.46059 2.4497 2.43379 2.41153 2.38112 2.34015 2.28686 2.21795 2.12442 1.9962 1.8175 1.56221 1.18438 0.595623 -0.382032 -2.23078 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.564242865291904e-20 1.274427360366048e-19 1.622299959157248e-19 1.914024278272512e-19 2.164428462337344e-19 2.394228655058688e-19 2.603873465890368e-19 2.791023716966016e-19 2.9584191303072e-19 3.108238666118208e-19 3.242132566318464e-19 3.361510746334272e-19 3.467478708033984e-19 3.560981735623872e-19 3.6428529609467524e-19 3.7137652981833605e-19 3.774343596215808e-19 3.82511657332896e-19 3.866548860742848e-19 3.900082417416192e-19 3.927207267606336e-19 3.9462090823290238e-19 3.957408296908416e-19 3.961077281370048e-19 3.9592828435547523e-19 3.9533547900577927e-19 3.942299771374272e-19 3.9248520679737603e-19 3.8993614379368323e-19 3.863696986357824e-19 3.8149747953192965e-19 3.7493336191651203e-19 3.663953627042688e-19 3.55354763610336e-19 3.4036960567599363e-19 3.19826497044096e-19 2.911956008304e-19 2.5029363387799683e-19 1.897585946143104e-19 9.542932454107584e-20 -6.120827387974657e-20 -3.5741035621482244e-19 ] } }