{ "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" [ 9.11028 8.499858 8.121542 7.846676 7.630664 7.452695 7.301354 7.1697 7.053196 6.948712 6.853999 6.767383 6.68759 6.613621 6.544685 6.48014 6.41946 6.362208 6.308017 6.256577 6.207622 6.160922 6.116279 6.07352 6.044411 6.013774 5.981441 5.947214 5.910855 5.872082 5.830552 5.785841 5.737423 5.684625 5.626577 5.562117 5.489652 5.406908 5.310477 5.194917 5.050715 4.85882 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.11028e-10 8.499858e-10 8.121542e-10 7.846676000000001e-10 7.630664e-10 7.452695000000001e-10 7.301354e-10 7.1697e-10 7.053196e-10 6.948712000000001e-10 6.853999e-10 6.767383e-10 6.687590000000001e-10 6.613621e-10 6.544685000000001e-10 6.48014e-10 6.41946e-10 6.362208e-10 6.308017000000001e-10 6.256577e-10 6.207622e-10 6.160922000000001e-10 6.116278999999999e-10 6.073520000000001e-10 6.044411000000001e-10 6.013774e-10 5.981441e-10 5.947214e-10 5.910855e-10 5.872082e-10 5.830552e-10 5.785840999999999e-10 5.737423e-10 5.684625e-10 5.626577e-10 5.562117e-10 5.489652e-10 5.406908e-10 5.310477e-10 5.194917000000001e-10 5.050715000000001e-10 4.85882e-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" [ -0.361302 -0.309842 -0.168534 -0.0192154 0.130201 0.277463 0.420169 0.556396 0.685069 0.805866 0.918984 1.02491 1.12428 1.21771 1.30584 1.38783 1.45284 1.50155 1.53721 1.56247 1.57951 1.59009 1.59564 1.59728 1.59658 1.59441 1.5907 1.58532 1.57816 1.56903 1.55775 1.54405 1.52764 1.50822 1.48556 1.45963 1.41715 1.31834 1.13473 0.825586 0.343175 -0.311693 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -5.788696174482816e-20 -4.964216085419136e-20 -2.700212346099072e-20 -3.0786464639320322e-21 2.0860499820478083e-20 4.4454473173703046e-20 6.731849485849153e-20 8.914446631066368e-20 1.0976015354348353e-19 1.291139664697613e-19 1.4723746796892674e-19 1.6420868404241281e-19 1.8012951312330241e-19 1.9509864929143682e-19 2.092186318505472e-19 2.223548779644864e-19 2.327706281763072e-19 2.40574830496224e-19 2.462881923259968e-19 2.5033529047013764e-19 2.530653994319808e-19 2.547605022967872e-19 2.556497103213312e-19 2.5591246728714243e-19 2.5580031492368645e-19 2.554526425969728e-19 2.54858235070656e-19 2.539962640486656e-19 2.5284910558817284e-19 2.513863183333824e-19 2.4957906310512003e-19 2.47384081134624e-19 2.4475490929989125e-19 2.416434823022976e-19 2.3801295007956484e-19 2.338585061018304e-19 2.27052459816672e-19 2.1122135262654723e-19 1.8180378769203843e-19 1.322734587659789e-19 5.498269618430401e-20 -4.9938723746701443e-20 ] } }