{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.42849 5.06476 4.839335 4.675552 4.546838 4.440793 4.350614 4.272166 4.202745 4.140487 4.08405 4.032439 3.984893 3.940818 3.899741 3.861281 3.825124 3.791009 3.758719 3.728067 3.698897 3.67107 3.644469 3.61899 3.601645 3.583389 3.564123 3.543728 3.522063 3.49896 3.474213 3.447572 3.418721 3.38726 3.352671 3.314262 3.271082 3.221777 3.164317 3.095459 3.009534 2.89519 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.42849e-10 5.06476e-10 4.839335000000001e-10 4.675552e-10 4.5468380000000005e-10 4.440793e-10 4.3506140000000003e-10 4.2721660000000005e-10 4.202745e-10 4.1404870000000003e-10 4.0840500000000005e-10 4.0324390000000005e-10 3.984893e-10 3.9408180000000005e-10 3.899741e-10 3.861281e-10 3.8251240000000005e-10 3.791009e-10 3.7587190000000005e-10 3.728067e-10 3.698897e-10 3.67107e-10 3.644469e-10 3.61899e-10 3.601645e-10 3.583389e-10 3.564123e-10 3.5437280000000005e-10 3.5220630000000003e-10 3.49896e-10 3.4742130000000003e-10 3.4475720000000004e-10 3.4187210000000003e-10 3.38726e-10 3.3526710000000003e-10 3.314262e-10 3.271082e-10 3.221777e-10 3.1643170000000004e-10 3.095459e-10 3.0095340000000003e-10 2.89519e-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" [ 0.939459 1.36826 1.71104 2.00043 2.25068 2.47029 2.6647 2.83768 2.99222 3.13028 3.25354 3.36338 3.46096 3.54715 3.62276 3.68846 3.74492 3.79261 3.83197 3.86343 3.88734 3.9041 3.91396 3.91719 3.91562 3.91042 3.90075 3.88555 3.86347 3.83259 3.79046 3.73378 3.65798 3.55662 3.42038 3.23526 2.97957 2.61742 2.08613 1.26619 -0.0991317 -2.67363 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5051792460001475e-19 2.1921941831758084e-19 2.741388285253632e-19 3.2050421775469444e-19 3.605986876902144e-19 3.957840884596032e-19 4.26932004144576e-19 4.546464553311745e-19 4.794064928290176e-19 5.015261432557824e-19 5.212745722837633e-19 5.388728802866304e-19 5.545069197523969e-19 5.68316080047072e-19 5.804301374769408e-19 5.909564378755968e-19 6.000023270766336e-19 6.076431073812289e-19 6.139492745606977e-19 6.189897222097345e-19 6.228205265100672e-19 6.255057745265281e-19 6.270855206746368e-19 6.276030237231553e-19 6.273514819936897e-19 6.265183501508736e-19 6.2496904535856e-19 6.22533736894944e-19 6.189961309162176e-19 6.140486095111872e-19 6.072986394077569e-19 5.982175023210624e-19 5.860730035353984e-19 5.698333413069696e-19 5.480052870251905e-19 5.183457934209408e-19 4.773797394037056e-19 4.1935691308143366e-19 3.342348713949504e-19 2.028660015490752e-19 -1.5882649212015936e-20 -4.2836274786695045e-19 ] } }