{ "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" [ "P" "P" "P" "P" ] } "a" { "source-value" [ 5.78449 5.396908 5.156701 4.982177 4.845023 4.732023 4.635931 4.552339 4.478366 4.412025 4.351887 4.296892 4.246227 4.199262 4.155492 4.114509 4.075981 4.03963 4.005222 3.97256 3.941477 3.911825 3.88348 3.85633 3.837847 3.818395 3.797865 3.776132 3.753046 3.728428 3.702058 3.673669 3.642926 3.609402 3.572545 3.531616 3.485605 3.433067 3.371838 3.298464 3.206903 3.08506 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.78449e-10 5.396908e-10 5.156701e-10 4.982177000000001e-10 4.845023e-10 4.732023e-10 4.6359310000000006e-10 4.552339e-10 4.4783660000000003e-10 4.412025e-10 4.3518869999999997e-10 4.296892e-10 4.246227e-10 4.199262e-10 4.155492e-10 4.114509e-10 4.075981e-10 4.03963e-10 4.005222e-10 3.97256e-10 3.941477e-10 3.911825e-10 3.8834800000000004e-10 3.85633e-10 3.837847e-10 3.8183950000000004e-10 3.797865e-10 3.7761320000000004e-10 3.753046e-10 3.7284280000000004e-10 3.702058e-10 3.673669e-10 3.6429260000000004e-10 3.6094020000000006e-10 3.572545e-10 3.5316160000000004e-10 3.4856050000000004e-10 3.433067e-10 3.371838e-10 3.298464e-10 3.206903e-10 3.08506e-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" [ 0.329124 0.583618 0.796931 0.980647 1.14134 1.28323 1.40925 1.52156 1.62182 1.71133 1.79115 1.86215 1.92506 1.98052 2.02905 2.07113 2.10716 2.13751 2.1625 2.18241 2.19752 2.20806 2.21424 2.21626 2.21528 2.21205 2.20605 2.19662 2.18291 2.16381 2.13786 2.10309 2.05681 1.99525 1.91296 1.80185 1.64943 1.43541 1.12472 0.651565 -0.122839 -1.5476 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.2731477814417926e-20 9.350591150780544e-20 1.2768242165907647e-19 1.5711696966576579e-19 1.8286282643838722e-19 2.0559611051091843e-19 2.2578674028624e-19 2.4378078591444483e-19 2.598442087145856e-19 2.7418529164736643e-19 2.86973865434592e-19 2.98349319442272e-19 3.084286125637248e-19 3.173142841026816e-19 3.25089647243424e-19 3.318316064637504e-19 3.376042488284928e-19 3.424668548726208e-19 3.46470694248e-19 3.496606279000128e-19 3.520815167740416e-19 3.5377021093236483e-19 3.5476035608401925e-19 3.5508399576142084e-19 3.549269824525824e-19 3.54409479404064e-19 3.53448173431584e-19 3.519373208781696e-19 3.497407367310528e-19 3.4668057938532477e-19 3.4252293105434878e-19 3.369521629438272e-19 3.2953728954276483e-19 3.1967429026512e-19 3.064899788525568e-19 2.88688194418848e-19 2.642678183646144e-19 2.299780343262528e-19 1.802000088946176e-19 1.0439222099315519e-19 -1.9680977392245122e-20 -2.4795285383500803e-19 ] } }