{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.15343 7.60712 7.268539 7.022542 6.829218 6.669941 6.534495 6.416669 6.312401 6.218891 6.134125 6.056607 5.985194 5.918995 5.857299 5.799533 5.745226 5.693987 5.645488 5.599451 5.555637 5.513842 5.473888 5.43562 5.409568 5.382149 5.353213 5.32258 5.29004 5.255339 5.218171 5.178156 5.134823 5.087571 5.035619 4.97793 4.913076 4.839022 4.752719 4.649297 4.52024 4.3485 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.15343e-10 7.607120000000001e-10 7.268539e-10 7.022542e-10 6.829218e-10 6.669941e-10 6.534495e-10 6.416669e-10 6.312401e-10 6.218891e-10 6.134125e-10 6.056607e-10 5.985194e-10 5.918995e-10 5.857299000000001e-10 5.799533000000001e-10 5.745226e-10 5.693987e-10 5.645488e-10 5.599451e-10 5.555637e-10 5.513842e-10 5.473887999999999e-10 5.43562e-10 5.409568000000001e-10 5.382149000000001e-10 5.353213000000001e-10 5.322580000000001e-10 5.290040000000001e-10 5.255339e-10 5.218171e-10 5.178156e-10 5.134823e-10 5.087571e-10 5.035619e-10 4.97793e-10 4.913076e-10 4.839022e-10 4.752719e-10 4.6492969999999997e-10 4.5202400000000004e-10 4.3484999999999995e-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" [ 0.516502 0.728974 0.900162 1.08192 1.2687 1.40771 1.50743 1.59326 1.67254 1.74616 1.8151 1.8802 1.94158 1.99866 2.05065 2.09682 2.13674 2.17029 2.19762 2.21906 2.23503 2.24595 2.25223 2.25425 2.25329 2.25016 2.2444 2.23546 2.22263 2.20498 2.18133 2.15007 2.10908 2.05538 1.98471 1.89072 1.76352 1.58702 1.33307 0.949311 0.32628 -0.804521 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.27527435814268e-20 1.167945109593516e-19 1.442218523214708e-19 1.7334269438572799e-19 2.0326814955557997e-19 2.25540006944814e-19 2.41516912339062e-19 2.55268394388684e-19 2.67970450743036e-19 2.7976567512254397e-19 2.9081108083734e-19 3.0124125072468e-19 3.11075410904172e-19 3.20220635131044e-19 3.2855035145121e-19 3.35947600970388e-19 3.42343490093316e-19 3.4771879270038597e-19 3.52097541441108e-19 3.5553260814440395e-19 3.5809128422890197e-19 3.5984086111323e-19 3.6084702803938195e-19 3.6117066771944994e-19 3.6101685876258593e-19 3.60515377476144e-19 3.5959252373496e-19 3.5816017782416396e-19 3.5610458520274197e-19 3.5327674344373197e-19 3.49487595704322e-19 3.4447919154643797e-19 3.3791186952367196e-19 3.29308180999092e-19 3.1798559872661397e-19 3.02926740543648e-19 2.82547053759168e-19 2.54268636169068e-19 2.1358136054863798e-19 1.520963902599174e-19 5.2275819214152e-20 -1.288984747762314e-19 ] } }