{ "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" [ 5.37657 5.01632 4.793051 4.630835 4.503352 4.398321 4.309005 4.231307 4.162551 4.100888 4.044991 3.993874 3.946783 3.903129 3.862445 3.824353 3.788542 3.754754 3.722772 3.692414 3.663522 3.635962 3.609615 3.58438 3.558869 3.532579 3.505462 3.477464 3.448526 3.418582 3.387561 3.355381 3.321953 3.287175 3.250936 3.213105 3.173537 3.132065 3.088496 3.042607 2.994136 2.942776 2.88816 2.829847 2.767302 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.376570000000001e-10 5.016320000000001e-10 4.793051000000001e-10 4.6308350000000005e-10 4.503352e-10 4.398321e-10 4.3090050000000004e-10 4.2313070000000003e-10 4.162551e-10 4.1008880000000006e-10 4.0449909999999997e-10 3.993874e-10 3.946783e-10 3.903129e-10 3.8624450000000004e-10 3.8243530000000003e-10 3.7885420000000004e-10 3.754754e-10 3.722772e-10 3.692414e-10 3.663522e-10 3.6359620000000005e-10 3.6096149999999997e-10 3.58438e-10 3.5588690000000004e-10 3.5325790000000003e-10 3.505462e-10 3.477464e-10 3.4485260000000006e-10 3.418582e-10 3.3875609999999997e-10 3.3553810000000003e-10 3.3219530000000005e-10 3.287175e-10 3.2509359999999997e-10 3.213105e-10 3.1735370000000004e-10 3.132065e-10 3.088496e-10 3.042607e-10 2.994136e-10 2.942776e-10 2.88816e-10 2.829847e-10 2.767302e-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" [ 0.909386 1.18965 1.44419 1.7404 2.03933 2.31122 2.54102 2.72427 2.86682 2.98232 3.08036 3.1664 3.24412 3.31578 3.38262 3.44549 3.50319 3.55406 3.59716 3.63204 3.65856 3.67674 3.68703 3.69029 3.68693 3.67638 3.65753 3.62849 3.58711 3.5309 3.45654 3.3597 3.23496 3.07505 2.86979 2.60815 2.27922 1.86827 1.35476 0.711383 -0.103328 -1.1617 -2.61035 -4.72595 -8.06917 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.456997000486724e-19 1.9060294326381e-19 2.31384747305646e-19 2.7884282138136e-19 3.26736687501522e-19 3.70298268003348e-19 4.0711628705266797e-19 4.36476173870718e-19 4.59315201788388e-19 4.77820341911088e-19 4.93528081630824e-19 5.0731320938976e-19 5.19765326189208e-19 5.31246523948452e-19 5.41955472570108e-19 5.52028357068066e-19 5.61272916246246e-19 5.69423188783404e-19 5.763285700759439e-19 5.81916962175336e-19 5.86165934608704e-19 5.89078691729316e-19 5.9072733148570195e-19 5.91249641068386e-19 5.907113097193619e-19 5.890210133704919e-19 5.8600091041540195e-19 5.81348189470266e-19 5.74718382558774e-19 5.6571254769906e-19 5.53798762248636e-19 5.3828328372498e-19 5.18297732392464e-19 4.9267732583816995e-19 4.59791048248686e-19 4.1787169879671e-19 3.6517130277454796e-19 2.99329854000318e-19 2.17056481667784e-19 1.1397612204248219e-19 -1.65549707237952e-20 -1.8612485957177998e-19 -4.1822417765618995e-19 -7.5718066634523e-19 -1.2928235629773779e-18 ] } }