{ "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" [ "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 7.19052 6.708729 6.410134 6.193188 6.022696 5.882229 5.762779 5.658868 5.566914 5.484448 5.409693 5.341329 5.27835 5.219969 5.165559 5.114615 5.066722 5.021534 4.978763 4.938162 4.899523 4.862664 4.827429 4.79368 4.759561 4.724402 4.688136 4.650692 4.611991 4.571945 4.530458 4.487421 4.442715 4.396204 4.347738 4.297144 4.244227 4.188763 4.130494 4.069123 4.004299 3.935611 3.862569 3.784583 3.700935 3.610739 3.512881 3.405937 3.288047 3.156711 3.008461 2.838291 2.638572 2.39684 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.19052e-10 6.708729e-10 6.410134000000001e-10 6.193188e-10 6.022696e-10 5.882229e-10 5.762779000000001e-10 5.658868e-10 5.566914e-10 5.484448000000001e-10 5.409693e-10 5.341329e-10 5.27835e-10 5.219969e-10 5.165559000000001e-10 5.114615e-10 5.066722e-10 5.021534e-10 4.978763e-10 4.938162e-10 4.899523000000001e-10 4.862664e-10 4.827429e-10 4.793680000000001e-10 4.759561e-10 4.724402e-10 4.688136000000001e-10 4.6506920000000003e-10 4.611991e-10 4.5719450000000004e-10 4.5304580000000006e-10 4.4874210000000004e-10 4.4427149999999997e-10 4.396204e-10 4.3477379999999996e-10 4.2971440000000007e-10 4.2442270000000005e-10 4.188763e-10 4.130494e-10 4.0691230000000005e-10 4.004299e-10 3.935611e-10 3.862569e-10 3.7845830000000003e-10 3.700935e-10 3.6107390000000003e-10 3.5128810000000005e-10 3.4059370000000005e-10 3.2880470000000004e-10 3.156711e-10 3.008461e-10 2.838291e-10 2.638572e-10 2.3968400000000003e-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 0.574294 1.19332 1.43123 1.63976 1.82442 1.98895 2.13605 2.26778 2.38576 2.49127 2.5854 2.66905 2.74297 2.80783 2.8642 2.91259 2.95344 2.98715 3.01407 3.03454 3.04885 3.05725 3.06 3.05702 3.04735 3.0297 3.00257 2.96412 2.91214 2.84397 2.75634 2.64525 2.50575 2.33173 2.1155 1.84739 1.51508 1.10273 0.589782 -0.0508173 -0.855099 -1.8718 -3.16798 -4.83766 -7.0156 -9.89998 -13.791 -19.1595 -26.7765 -37.9712 -55.1893 -83.3307 -133.4 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 9.201204278463959e-20 1.9119094208848797e-19 2.29308326387982e-19 2.62718515736784e-19 2.9230430946022796e-19 3.1866492161942996e-19 3.4223293990557e-19 3.63338412705252e-19 3.82240892633184e-19 3.99145458298518e-19 4.1422674695435997e-19 4.2762895449776997e-19 4.39472244176298e-19 4.49863961824422e-19 4.588954315102799e-19 4.66648364242206e-19 4.73193255792096e-19 4.7859419322531e-19 4.82907252724038e-19 4.861869082938359e-19 4.8847962305709e-19 4.898254514296499e-19 4.90266050004e-19 4.89788601367068e-19 4.8823929656199e-19 4.8541145480298e-19 4.81064749594938e-19 4.74904380437208e-19 4.66576266293676e-19 4.55654228179698e-19 4.416143543359559e-19 4.2381577410884995e-19 4.0146541006455e-19 3.7358433227968194e-19 3.389404669227e-19 2.95984509188526e-19 2.42742577464072e-19 1.7667682396108198e-19 9.44934939553788e-20 -8.14182906629682e-21 -1.370019637556766e-19 -2.9989542235211995e-19 -5.075663532979319e-19 -7.750785815236439e-19 -1.12402303934904e-18 -1.5861516633067318e-18 -2.2095617959493997e-18 -3.0696903219123e-18 -4.2900682640301e-18 -6.08365694049408e-18 -8.84230069068162e-18 -1.3351050043486378e-17 -2.137303629756e-17 ] } }